Isoniazid

CAS Number: 54-85-3

Molecular Mass: 137.14 g/mol

Formula: C₆H₇N₃O

Smiles: NNC(=O)c1ccncc1

Synonymes:

Isoniazid, isoniazid, 54-85-3, Isonicotinic acid hydrazide, Isonicotinohydrazide, pyridine-4-carbohydrazide, Isoniazide, Rimifon, Nydrazid, Cotinazin, Hydrazid, Mybasan, Hidrasonil, Isonicotan, Armazide, Dinacrin, Ditubin, Ertuban, Iscotin, Isidrina, Isobicina, Laniazid, Neumandin, Cedin, Atcotibine, Nicotibina, Armazid, Eralon, Isolyn, Isonex, Neoteben, Nicizina, Niconyl, Nicozide, Pycazide, Hyzyd, Isonicotinylhydrazine, Andrazide, Eutizon, Hycozid, Isocotin, Isonicid, Isonico, Isonidrin, Isonilex, Isonindon, Isonizide, Isotebezid, Isozide, Niadrin, Nicetal, Nidaton, Nidrazid, Nikozid, Nyscozid, Pelazid, Rimitsid, Stanozide, Tubazide, Isocid, Isozyd, Neoxin, Niplen, Nevin, Inah, Isonicotinic hydrazide, Isohydrazide, Isonicotinhydrazid, Antimicina, Chemiazid, Chemidon, Fimalene, Hidranizil, Hidrulta, Ismazide, Isocidene, Isonerit, Isonicotil, Isonikazid, Isonirit, Isoniton, Pyricidin, Pyrizidin, Raumanon, Retozide, Teebaconin, 4-Pyridinecarboxylic acid, hydrazide, Azuren, Cemidon, Defonin, Diforin, Ebidene, Evalon, Hidrun, Idrazil, Inizid, Isonide, Isonin, Nitadon, Rimicid, Tubazid, Antituberkulosum, Ido-tebin, Isonicazide, Nicotibine, Nicotisan, Rimiphone, Tisiodrazida, Tubilysin, Isotebe, Isotinyl, Nicazide, Phthisen, Pyreazid, Percin, Razide, Tyvid, Neo-Tizide, Isoniazid SA, Preparation 6424, Armacide, Cortinazine, Cotinizin, GINK, Isotamine, Robisellin, Sauterazid, Tibinide, Unicozyde, Vazadrine, Zonazide, Isonicotinyl hydrazide, Tebecid, Tekazin, Tubeco, Tubicon, Tubomel, Vederon, Zinadon, Isonicotinoyl hydrazide, Dow-Isoniazid, 4-Pyridinecarboxylic acid hydrazide, TB-Razide, Sanohidrazina, Robiselin, Tibizide, Tuberian, Niteban, Roxifen, Tebenic, Tebexin, Tebilon, Tibison, Tibivis, Tibusan, Tizide, Tebos, Tisin, TB-Vis, FSR 3, TB-Phlogin, Isoniazidum, Isozid, Isonicotinoylhydrazine, In-73, Cedin (Aerosol), bacillen, FSR-3, tebemid, tubercid, Isonizida, 4-Pyridinecarbonylhydrazine, 4-(Hydrazinocarbonyl)pyridine, BP 5015, 4-Pyridylcarbonylhydrazide, Dianicotyl, Ipcazide, Isonicotinsaeurehydrazid, NSC 9659, 4-Pyridinecarboxylic hydrazide, isonicotinoylhydrazide, Isonicotinyl hydrazine, pyridine-4-carboxylic acid hydrazide, 5015 R.P., 5015 RP, DTXSID8020755, L 1945, RP 5015, NSC-9659, V83O1VOZ8L, CHEBI:6030, NSC9659, DTXCID20755, Hydrazide, Isonicotinic Acid, Isoniazid 300 mg, Acid Vanillylidenehydrazide, Isonicotinic, RefChem:5917, Vanillylidenehydrazide, Isonicotinic Acid, 200-214-6, Niazid, Isoniacid, Dibutin, Hyozid, Laniozid, Pyridicin, Sauterzid, Tibazide, Tubizid, Unicocyde, Inh-Burgthal, INH, Isoniazida, Zidafimia, Isokin, Nitebannsc 9659, RU-EF-Tb, 4-pyridinecarbohydrazide, MFCD00006426, HIA, RP-5015, Isonicotinylhydrazide, CHEMBL64, MLS000069444, Hydra, s1937, CAS-54-85-3, NCGC00016244-09, Continazine, Tubecotubercid, Abdizide, Anidrasona, SMR000059082, Tibemid, Tibiazide, Fetefu, LANIZID, RY-EF-Tb, Isoniazid, pyridine-4-carbohydrazide, Isoniazidum [INN-Latin], Isoniazida [INN-Spanish], FRS-3, Isoniazid & EEP, Laniazid (TN), CCRIS 351, Usaf cb-2, Isoniazid & Propolis, HSDB 1647, Isonicotinsaeurehydrazid [German], INHd20, SR-01000003025, EINECS 200-214-6, UNII-V83O1VOZ8L, lsoniazid, Mayambutol, AI3-23936, I.A.I., Idrazide dell'acido isonicotinico [Italian], Isoniazid RS, isoniazid (inh), Isoniazid CRS, Idrazide dell'acido isonicotinico, Isoniazid [USP:INN:BAN:JAN], isonicotinhydrazide, NIZ, Prestwick_578, Isoniazid (Tubizid), Isoniazid(Tubizid)?, Isoniazid (Standard), Rifater (Salt/Mix), isonicotinate hydrazide, Isonicotinic acid hydrazide (Isoniazid), Isonicotinicacidhydrazide, Spectrum_000853, ISONIAZID [INN], ISONIAZID [JAN], Opera_ID_454, ISONIAZID [MI], isonicotinicacid hydrazide, ISONIAZID [HSDB], isonicotinic acid hydrazid, Prestwick0_000161, Prestwick1_000161, Prestwick2_000161, Prestwick3_000161, Spectrum2_000107, Spectrum3_000472, Spectrum4_000022, Spectrum5_000876, ISONIAZID [VANDF], I0138, WLN: T6NJ DVMZ, isonicotinic acid hydrazone, SCHEMBL228, Biomol-NT_000288, Epitope ID:141801, ISONIAZID [MART.], 4-Pyridylcarbonyl hydrazide, ISONIAZID [USP-RS], ISONIAZID [WHO-DD], ISONIAZID [WHO-IP], Oprea1_396155, BSPBio_000021, BSPBio_002204, KBioGR_000423, KBioSS_001333, MLS001055327, BIDD:GT0140, DivK1c_000070, SPECTRUM1500355, SPBio_000094, SPBio_001942, Isoniazid (JP18/USP/INN), pyridine, 4-hydrazinocarbonyl-, BPBio1_000025, BPBio1_001322, orb1310116, orb3025438, ISONIAZID [EP IMPURITY], ISONIAZID [ORANGE BOOK], component of Niadox (Salt/Mix), ISONIAZID [EP MONOGRAPH], GTPL12761, HMS500D12, HY-B0329R, KBio1_000070, KBio2_001333, KBio2_003901, KBio2_006469, KBio3_001424, ISONIAZID [USP MONOGRAPH], NINDS_000070, RIFATER COMPONENT ISONIAZID, 4-Pyridinecarboxamide, 2'-amino-, GLXC-07773, HMS1568B03, HMS1920H09, HMS2089I16, HMS2091N19, HMS2095B03, HMS2234G04, HMS3259E19, HMS3373O01, HMS3655L03, HMS3712B03, HMS5080B07, HMS6018K15, KUC109571N, Pharmakon1600-01500355, 4-pyridinecarbohydrazide(Isoniazid), ISONIAZIDUM [WHO-IP LATIN], RIFAMATE COMPONENT ISONIAZID, HY-B0329, MSK10311, STR00210, [(4-Pyridinylcarbonyl)oxy]hydrazine, Anti-TNF monoclonal antibody & INH, Tox21_113640, Tox21_201367, Tox21_300193, BBL008409, BDBM50336507, CCG-39710, EBC-11047, NSC757078, SBB004195, STK086288, (HBD) Human beta-defensin-1 & INH, AKOS000119062, Isonicotinic acid hydrazide(Isoniazid), Tox21_113640_1, AI24685, DB00951, KSC-27-048, NC00513, NSC-757078, PS-4129, IDI1_000070, UPCMLD0ENAT5791176:001, NCGC00016244-01, NCGC00016244-02, NCGC00016244-03, NCGC00016244-04, NCGC00016244-05, NCGC00016244-06, NCGC00016244-07, NCGC00016244-08, NCGC00016244-10, NCGC00016244-11, NCGC00016244-12, NCGC00016244-14, NCGC00016244-15, NCGC00016244-17, NCGC00022648-03, NCGC00022648-04, NCGC00022648-05, NCGC00022648-06, NCGC00022648-07, NCGC00254094-01, NCGC00258919-01, ISONICOTINIC ACID HYDRAZIDE [IARC], ST078858, SY010614, Isoniazid, Vetec(TM) reagent grade, 98%, SBI-0051419.P003, AB00052025, ISONICOTINIC ACID HYDRAZIDE [WHO-IP], NS00006598, SW196752-3, EN300-18498, ISONICOTINIC ACID HYDRAZIDE(ISONIAZIDE), C07054, D00346, D70582, Isoniazid, analytical standard, >=99% (TLC), AB00052025-20, AB00052025-21, AB00052025_22, AB00052025_23, AB00052025_24, AB00052025_25, AE-641/02310003, F236758, Q423169, 4-PYRIDINECARBOXYLIC ACID HYDRAZIDE [WHO-IP], SR-01000003025-2, SR-01000003025-3, BRD-K87202646-001-26-8, BRD-K87202646-001-32-6, BRD-K87202646-001-33-4, BRD-K87202646-061-04-9, BRD-K87202646-061-05-6, Isoniazid, certified reference material, TraceCERT(R), Z58981801, F0391-0007, Isoniazid, European Pharmacopoeia (EP) Reference Standard, Isoniazid, United States Pharmacopeia (USP) Reference Standard, InChI=1/C6H7N3O/c7-9-6(10)5-1-3-8-4-2-5/h1-4H,7H2,(H,9,10, Isoniazid, Pharmaceutical??Secondary??Standard, ??Certified??Reference??Material

Bioactivity: -

Solubility in Different Solvents

Solvent	Temperature [K]	Crystal form	Solubility [mg/mL]	Reference
1-Propanol	283.15	-	4.068	[376]
1-Propanol	288.15	-	4.87	[376]
1-Propanol	293.15	-	6.056	[376]
1-Propanol	298.15	-	7.676	[376]
1-Propanol	303.15	-	9.038	[376]
1-Propanol	308.15	-	10.72	[376]
1-Propanol	313.15	-	12.76	[376]
1-Propanol	318.15	-	15.15	[376]
1-Propanol	323.15	-	17.66	[376]
Acetone	301.0	-	17.62	[377]
Acetone	303.0	-	19.37	[377]
Acetone	308.0	-	25.22	[377]
Acetone	311.0	-	29.62	[377]
Acetone	313.0	-	34.6	[377]
Acetonitrile	283.15	-	1.923	[376]
Acetonitrile	288.15	-	2.402	[376]
Acetonitrile	293.15	-	2.852	[376]
Acetonitrile	298.15	-	3.661	[376]
Acetonitrile	303.15	-	4.362	[376]
Acetonitrile	308.15	-	5.138	[376]
Acetonitrile	313.15	-	6.127	[376]
Acetonitrile	318.15	-	7.285	[376]
Acetonitrile	323.15	-	8.309	[376]
Dimethylformamide	283.15	-	42.33	[376]
Dimethylformamide	288.15	-	49.68	[376]
Dimethylformamide	293.15	-	56.98	[376]
Dimethylformamide	298.15	-	64.2	[376]
Dimethylformamide	303.15	-	75.66	[376]
Dimethylformamide	308.15	-	84.23	[376]
Dimethylformamide	313.15	-	93.98	[376]
Dimethylformamide	318.15	-	104.3	[376]
Dimethylformamide	323.15	-	119.8	[376]
Ethanol	283.15	-	6.345	[376]
Ethanol	288.15	-	7.527	[376]
Ethanol	293.15	-	9.055	[376]
Ethanol	298.15	-	10.92	[376]
Ethanol	301.0	-	12.77	[377]
Ethanol	303.0	-	13.54	[377]
Ethanol	303.15	-	12.84	[376]
Ethanol	308.0	-	16.69	[377]
Ethanol	308.15	-	15.03	[376]
Ethanol	311.0	-	18.95	[377]
Ethanol	313.0	-	20.57	[377]
Ethanol	313.15	-	17.46	[376]
Ethanol	318.15	-	20.07	[376]
Ethanol	323.15	-	22.86	[376]
Ethyl acetate	283.15	-	1.388	[376]
Ethyl acetate	288.15	-	1.692	[376]
Ethyl acetate	293.15	-	1.909	[376]
Ethyl acetate	298.15	-	2.234	[376]
Ethyl acetate	301.0	-	2.208	[377]
Ethyl acetate	303.0	-	2.382	[377]
Ethyl acetate	303.15	-	2.696	[376]
Ethyl acetate	308.0	-	2.835	[377]
Ethyl acetate	308.15	-	3.224	[376]
Ethyl acetate	311.0	-	3.084	[377]
Ethyl acetate	313.0	-	3.431	[377]
Ethyl acetate	313.15	-	3.812	[376]
Ethyl acetate	318.15	-	4.49	[376]
Ethyl acetate	323.15	-	5.039	[376]
Isopropanol	283.15	-	3.818	[376]
Isopropanol	288.15	-	4.58	[376]
Isopropanol	293.15	-	5.656	[376]
Isopropanol	298.15	-	6.668	[376]
Isopropanol	303.15	-	8.074	[376]
Isopropanol	308.15	-	9.892	[376]
Isopropanol	313.15	-	11.49	[376]
Isopropanol	318.15	-	14.13	[376]
Isopropanol	323.15	-	16.6	[376]
Methanol	283.15	-	19.78	[376]
Methanol	288.15	-	22.98	[376]
Methanol	293.15	-	27.19	[376]
Methanol	298.15	-	32.65	[376]
Methanol	301.0	-	36.27	[377]
Methanol	303.0	-	38.55	[377]
Methanol	303.15	-	37.81	[376]
Methanol	308.0	-	46.23	[377]
Methanol	308.15	-	44.28	[376]
Methanol	311.0	-	51.86	[377]
Methanol	313.0	-	54.9	[377]
Methanol	313.15	-	50.8	[376]
Methanol	318.15	-	59.93	[376]
Methanol	323.15	-	70.41	[376]
Water	283.15	-	81.39	[376]
Water	288.15	-	103.3	[376]
Water	293.15	-	123.0	[376]
Water	298.15	-	153.3	[376]
Water	303.15	-	186.5	[376]
Water	308.15	-	230.9	[376]
Water	313.15	-	277.3	[376]
Water	318.15	-	331.6	[376]
Water	323.15	-	409.9	[376]

Molecule 3D descriptors

Descriptor	Value
PMI1	140.5635
PMI2	619.8279
PMI3	744.2103
NPR1	0.1889
NPR2	0.8329
RadiusOfGyration	2.3421
InertialShapeFactor	0.0059
Eccentricity	0.9820
Asphericity	0.5385
SpherocityIndex	0.0503
PBF	0.2570