Nicotinic acid

CAS Number: 59-67-6

Molecular Mass: 123.11 g/mol

Formula: C₆H₅NO₂

Smiles: O=C(O)c1cccnc1

Synonymes:

Nicotinic acid, nicotinic acid, niacin, 59-67-6, Pyridine-3-carboxylic acid, 3-pyridinecarboxylic acid, 3-Carboxypyridine, vitamin B3, wampocap, Apelagrin, Pellagrin, Akotin, Daskil, Efacin, Niaspan, Pelonin, Linic, nicolar, Nicotinipca, Nicacid, Nicangin, Niconacid, Nyclin, Nicyl, Acidum nicotinicum, Nico-Span, Direktan, Nicodelmine, Pellagramin, Bionic, Diacin, Peviton, Niac, Nicosan 3, Davitamon PP, Vitaplex N, nicamin, nicobid, nicocap, Tega-Span, Enduracin, Nicocidin, Nicocrisina, Niconazid, Nicotamin, Nicovasan, Nicovasen, Nicodon, Niconat, Nicorol, Nicosyl, Nicotene, Nicotil, Nipellen, SK-Niacin, Naotin, Niacor, Tinic, 3-Carboxylpyridine, Nicotine acid, Slo-niacin, Acide nicotinique, NICO, Nicotinsaure, Nicagin, Pyridine-beta-carboxylic acid, Acido nicotinico, anti-Pellagra vitamin, PP Factor, Kyselina nikotinova, P.P. factor, S115, 3-Pyridylcarboxylic acid, m-Pyridinecarboxylic acid, Pellagra preventive factor, niacine, Pyridine-carboxylique-3, EPA Pesticide Chemical Code 056701, Niacin extended release, Nikotinsaeure, SR 4390, beta-pyridinecarboxylic acid, NIASPAN TITRATION STARTER PACK, NSC-169454, Niacin (USP), Niacin [USP], DTXSID1020932, VITAMIN B-3, 2679MF687A, DTXCID10932, CHEBI:15940, NSC169454, 3 Pyridinecarboxylic Acid, Niacin Td, Niaspan ER, Tartrate, Niacin, Tosylate, Niacin, Nicotinate, Lithium, Sodium Salt, Niacin, Hydrochloride, Niacin, Aluminum Salt, Niacin, Nico400, Potassium Salt, Niacin, Nico 400, RefChem:927738, hydron, pyridine-3-carboxylate, CHEBI:176839, Jeuncell Hair Restorer and Hair Growth Solution, 200-441-0, 681-634-0, 3-Picolinic acid, Nico-400, Caswell No. 598, Nicotinsaure [German], MFCD00006391, Kyselina nikotinova [Czech], CCRIS 1902, Acide nicotinique [INN-French], Acido nicotinico [INN-Spanish], Acidum nicotinicum [INN-Latin], HSDB 3134, Pyridine-carboxylique-3 [French], AI3-18994, Pyridinecarboxylic acid, 3-, BRN 0109591, Nicotinic acid [INN], NAH, CHEMBL573, MLS000069603, Pyridine-.beta.-carboxylic acid, P.P. factor-pellagra preventive factor, CAS-59-67-6, pyridine, 3-carboxy-, NCGC00016268-02, SMR000059024, [5, 6-3H]-niacin, Niacin [USAN], Nicotinicacid, Niacin (nicotinic acid), SR-01000722017, EINECS 200-441-0, NSC 169454, Nicotinic Acid, , UNII-2679MF687A, preventative factor, Nicotinic acid RS, antipellagra vitamin, Nicotinic acid CRS, Niaspan (TN), 3-Pyridylcarboxylate, 3PyrCOOH, [3H]nicotinic acid, Niacor (TN), [3H]-Nicotinic acid, Spectrum_001063, pyridinium-3-carboxylate, NIACIN [VANDF], NIACIN [HSDB], Nicotinic acid (Niacin), 5-pyridinecarboxylic acid, NIACIN [FCC], NIACIN [USP-RS], Opera_ID_1346, Prestwick0_000881, Prestwick1_000881, Prestwick2_000881, Prestwick3_000881, Pyridine-3-carbonic acid, Spectrum2_000006, Spectrum3_000515, Spectrum4_000965, Spectrum5_001287, Nicotinamide Impurity 16, 3-Pyridyl carboxylic acid, Nicotinic acid-13C1 ), Nicotinic acid-d3(major), WLN: T6NJ CVQ, 3-pyridine carboxylic acid, bmse000104, Nicotinic acid, >=98%, Nicotinic acid, USP grade, EC 200-441-0, SCHEMBL1433, NICOTINIC ACID [MI], Oprea1_514398, VITAMIN B3 [VANDF], BSPBio_000662, BSPBio_002069, KBioGR_001309, KBioSS_001543, NIACIN [ORANGE BOOK], NICOTINIC ACID [JAN], 5-22-02-00057 (Beilstein Handbook Reference), Nicotinic acid (Vitamin B3), BIDD:GT0644, DivK1c_000695, Nicotinic acid (JP18/INN), SCHEMBL308467, SCHEMBL309891, SCHEMBL333960, SCHEMBL658420, SIMCOR COMPONENT NIACIN, SPECTRUM1500430, .beta.-Pyridinecarboxylic acid, SPBio_000011, SPBio_002881, ADVICOR COMPONENT NIACIN, NIACIN [USP MONOGRAPH], NICOTINIC ACID [VANDF], BPBio1_000730, GTPL1588, GTPL1594, orb1310206, orb3139920, SCHEMBL2045277, NICOTINIC ACID [MART.], NICOTINIC ACID [WHO-DD], NICOTINIC ACID [WHO-IP], SCHEMBL29349574, BDBM23515, HMS502C17, KBio1_000695, KBio2_001543, KBio2_004111, KBio2_006679, KBio3_001569, ABT-919, MSK1518, NICOTINIC ACID [EMA EPAR], NINDS_000695, HMS1570B04, HMS1920P17, HMS2091H22, HMS2097B04, HMS2236A05, HMS3259K21, HMS3371E07, HMS3655K08, HMS3714B04, HMS5079H22, Pharmakon1600-01500430, Nicotinic acid, analytical standard, HCA98714, HY-B0143, STR00112, Tox21_110337, Tox21_201420, Tox21_302904, AC8691, BBL037343, CCG-38340, EBC-00528, NICOTINIC ACID [EP IMPURITY], Nicotinic acid, for synthesis, 99%, NSC757241, s1744, SBB004279, STK301803, NICOTINIC ACID [EP MONOGRAPH], AKOS000118980, Nicotinic acid, >=99.5% (HPLC), Tox21_110337_1, CS-1946, DB00627, FN16182, NC00524, Nicotinic Acid 1.0 mg/ml in Methanol, NSC-757241, PS-4255, SDCCGMLS-0066610.P001, IDI1_000695, NCGC00016268-01, NCGC00016268-03, NCGC00016268-04, NCGC00016268-05, NCGC00016268-08, NCGC00016268-09, NCGC00016268-13, NCGC00094734-01, NCGC00094734-02, NCGC00256537-01, NCGC00258971-01, AC-22484, ACIDUM NICOTINICUM [WHO-IP LATIN], BP-21419, NCI60_001041, Nicotinic acid, plant cell culture tested, ST097540, SY011111, SBI-0051456.P003, DB-007765, Nicotinic Acid [Matrix for MALDI-TOF/MS], AB00052050, N0082, N1103, Nicotinic acid 10 microg/mL in Acetonitrile, Nicotinic acid, purum, >=99.0% (HPLC), NS00003500, SW197229-3, EN300-16693, C00253, D00049, Nicotinic acid(Discontinued,See C4X-200016), Nicotinic acid, SAJ special grade, >=99.5%, AB00052050-13, AB00052050_14, AB00052050_15, Nicotinic acid, meets USP testing specifications, AC-907/25014105, AE-641/00368010, F214893, L001199, METHYL NICOTINATE IMPURITY A [EP IMPURITY], Nicorandil Impurity 3, Nicotinamide EP Impurity A, Q134658, SR-01000722017-2, SR-01000722017-3, SR-01000722017-4, BRD-K60237333-001-26-3, BRD-K60237333-001-27-1, BRD-K60237333-001-28-9, Z56755709, 3DDB011E-F3A6-45B6-A2D2-77B2A6E8936E, F2191-0082, Niacin, United States Pharmacopeia (USP) Reference Standard, Nicotinic acid, certified reference material, TraceCERT(R), Nicotinic acid, European Pharmacopoeia (EP) Reference Standard, Nicotinic acid, matrix substance for MALDI-MS, >=99.5% (HPLC), InChI=1/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9, Nicotinic acid, for inorganic trace analysis, >=99.999% (metals basis), Niacin (Nicotinic Acid), Pharmaceutical Secondary Standard, Certified Reference Material, 101113-41-1, Nicotinic acid, BioReagent, suitable for cell culture, suitable for insect cell culture, suitable for plant cell culture, >=98%

Bioactivity: -

Solubility in Different Solvents

Solvent	Temperature [K]	Crystal form	Solubility [mg/mL]	Reference
1-Butanol	283.15	-	1.9	[72]
1-Butanol	293.15	-	3.113	[72]
1-Butanol	303.15	-	4.692	[72]
1-Butanol	313.15	-	7.35	[72]
1-Butanol	323.15	-	11.27	[72]
1-Butanol	333.15	-	16.16	[72]
1-Butanol	343.15	-	23.24	[72]
1-Butanol	353.15	-	32.93	[72]
1-Propanol	283.15	-	2.983	[72]
1-Propanol	293.15	-	4.705	[72]
1-Propanol	303.15	-	7.121	[72]
1-Propanol	313.15	-	10.41	[72]
1-Propanol	323.15	-	14.87	[72]
1-Propanol	333.15	-	20.97	[72]
1-Propanol	343.15	-	29.65	[72]
Acetone	283.15	-	1.05	[72]
Acetone	285.46	-	1.243	[71]
Acetone	292.26	-	1.913	[71]
Acetone	293.15	-	1.744	[72]
Acetone	296.8	-	2.292	[71]
Acetone	302.14	-	2.667	[71]
Acetone	303.15	-	2.746	[72]
Acetone	307.1	-	3.807	[71]
Acetone	313.15	-	4.273	[72]
Acetone	317.11	-	5.159	[71]
Acetone	323.15	-	6.565	[72]
Acetonitrile	283.3	-	0.1694	[71]
Acetonitrile	288.51	-	0.2843	[71]
Acetonitrile	293.01	-	0.3981	[71]
Acetonitrile	297.58	-	0.4314	[71]
Acetonitrile	302.63	-	0.6205	[71]
Acetonitrile	306.91	-	0.815	[71]
Acetonitrile	312.49	-	1.085	[71]
Acetonitrile	316.21	-	1.243	[71]
Acetonitrile	322.45	-	1.61	[71]
Acetonitrile	332.32	-	2.376	[71]
Diethyl ether	283.45	-	0.3882	[71]
Diethyl ether	285.74	-	0.4543	[71]
Diethyl ether	290.57	-	0.6416	[71]
Diethyl ether	294.02	-	0.7322	[71]
Diethyl ether	298.66	-	0.9568	[71]
Dimethyl sulfoxide	283.15	-	80.04	[72]
Dimethyl sulfoxide	293.15	-	106.1	[72]
Dimethyl sulfoxide	293.56	-	110.0	[71]
Dimethyl sulfoxide	303.15	-	133.8	[72]
Dimethyl sulfoxide	303.38	-	137.4	[71]
Dimethyl sulfoxide	313.07	-	170.6	[71]
Dimethyl sulfoxide	313.15	-	166.1	[72]
Dimethyl sulfoxide	322.84	-	205.4	[71]
Dimethyl sulfoxide	323.15	-	201.5	[72]
Dimethyl sulfoxide	332.36	-	251.2	[71]
Dimethyl sulfoxide	333.15	-	244.0	[72]
Dimethyl sulfoxide	343.15	-	292.5	[72]
Ethanol	283.15	-	4.314	[72]
Ethanol	283.38	-	4.777	[71]
Ethanol	293.15	-	6.604	[72]
Ethanol	293.46	-	6.531	[71]
Ethanol	303.15	-	8.873	[71]
Ethanol	303.15	-	9.812	[72]
Ethanol	312.83	-	12.57	[71]
Ethanol	313.15	-	14.19	[72]
Ethanol	322.64	-	17.35	[71]
Ethanol	323.15	-	20.14	[72]
Ethanol	332.43	-	23.41	[71]
Ethanol	333.15	-	27.8	[72]
Ethanol	343.15	-	38.19	[72]
Ethyl acetate	283.15	-	0.421	[72]
Ethyl acetate	293.15	-	0.68	[72]
Ethyl acetate	303.15	-	1.16	[72]
Ethyl acetate	313.15	-	1.826	[72]
Ethyl acetate	323.15	-	2.975	[72]
Ethyl acetate	333.15	-	4.788	[72]
Ethyl acetate	343.15	-	7.11	[72]
Isopropanol	283.15	-	2.885	[72]
Isopropanol	293.15	-	4.454	[72]
Isopropanol	303.15	-	6.681	[72]
Isopropanol	313.15	-	9.769	[72]
Isopropanol	323.15	-	13.98	[72]
Isopropanol	333.15	-	19.48	[72]
Isopropanol	343.15	-	26.66	[72]
Methanol	283.15	-	7.336	[72]
Methanol	293.15	-	11.65	[72]
Methanol	303.15	-	17.73	[72]
Methanol	313.15	-	26.61	[72]
Methanol	323.15	-	38.44	[72]
Water	283.15	-	11.29	[72]
Water	283.59	-	11.81	[71]
Water	293.15	-	14.7	[72]
Water	293.41	-	14.92	[71]
Water	303.03	-	19.11	[71]
Water	303.15	-	19.04	[72]
Water	312.49	-	32.3	[71]
Water	312.97	-	24.81	[71]
Water	313.15	-	24.7	[72]
Water	316.21	-	37.16	[71]
Water	322.45	-	48.64	[71]
Water	322.83	-	31.46	[71]
Water	323.15	-	31.07	[72]
Water	332.01	-	39.52	[71]
Water	332.32	-	72.57	[71]
Water	333.15	-	38.93	[72]
Water	343.15	-	47.37	[72]
Water	353.15	-	58.42	[72]
Water	363.15	-	71.35	[72]

Molecule 3D descriptors

Descriptor	Value
PMI1	126.9690
PMI2	408.9118
PMI3	535.8809
NPR1	0.2369
NPR2	0.7631
RadiusOfGyration	2.0863
InertialShapeFactor	0.0060
Eccentricity	0.9715
Asphericity	0.4576
SpherocityIndex	0.0000
PBF	0.0000