| Phytochemical Name : Nicotinic acid |
| PCNDIDN0060 |
| Pubchem CID : 938 |
| Molecular formula: C6H5NO2 |
| Canonical SMILES : C1=CC(=CN=C1)C(=O)O |
Synonymes : nicotinic acid|niacin|59-67-6|Pyridine-3-carboxylic acid|3-pyridinecarboxylic acid|3-Carboxypyridine|wampocap|vitamin B3|Niaspan|Acidum nicotinicum|nicolar|Apelagrin|Pellagrin|Akotin|Daskil|Efacin|Pelonin|Linic|nicamin|nicobid|nicocap|Enduracin|Nicodelmine|Niconacid|Nicotinipca|Pellagramin|Direktan|Nicacid|Nicangin|Peviton|Bionic|Diacin|Nicyl|Nyclin|Niac|Vitaplex N|Davitamon PP|Nico-Span|Tega-Span|Nicocidin|Nicocrisina|Niconazid|Nicotamin|Nicotene|Nicovasan|Nicovasen|Nipellen|SK-Niacin|Naotin|Niacor|Nicodon|Niconat|Nicosan 3|Nicosyl|Nicotil|Tinic|3-Carboxylpyridine|Nicotine acid|Nicodan|Nicoside|Slo-niacin|NICO|3-Picolinic acid|Nicotinsaure|Nico-400|Acide nicotinique|Pyridine-beta-carboxylic acid|Nicagin|anti-Pellagra vitamin|Caswell No. 598|PP Factor|Kyselina nikotinova|P.P. factor|Pellagra preventive factor|S115|Nicotinsaure [German]|Acido nicotinico|3-Pyridylcarboxylic acid|m-Pyridinecarboxylic acid|Niacin [USAN]|Kyselina nikotinova [Czech]|C6H5NO2|MFCD00006391|niacine|CCRIS 1902|Pyridine-carboxylique-3|EPA Pesticide Chemical Code 056701|Acide nicotinique [INN-French]|Acido nicotinico [INN-Spanish]|Acidum nicotinicum [INN-Latin]|HSDB 3134|Pyridine-carboxylique-3 [French]|AI3-18994|Pyridinecarboxylic acid, 3-|Niacin [USP]|SR 4390|BRN 0109591|Niacin extended release|Nicotinic acid [INN]|Vitamin B3 (Niacin)|Niacin (nicotinic acid)|EINECS 200-441-0|NIASPAN TITRATION STARTER PACK|NAH|CHEMBL573|beta-pyridinecarboxylic acid|NSC 169454|NSC-169454|niacin magnesium|niacin potassium|MLS000069603|Pyridine-.beta.-carboxylic acid|DTXSID1020932|UNII-2679MF687A|CHEBI:15940|Niacin (USP)|Niacinamide (TN)|2679MF687A|P.P. factor-pellagra preventive factor|Nicotinamide (TN)|CAS-59-67-6|NCGC00016268-02|Niacin (TN)|SMR000059024|[3H]nicotinic acid|[5, 6-3H]-niacin|EC 200-441-0|[3H]-Nicotinic acid|5-22-02-00057 (Beilstein Handbook Reference)|DTXCID10932|Nicotinicacid|Induracin|SR-01000722017|pellagra|Nikotinsaeure|Ncotnc acd|preventative factor|Niacin-Vitamin B3|Niaspan (TN)|3PyrCOOH|Niacor (TN)|Nicotinic Acid,(S)|Niacinamide Astra Brand|Niacinamide Merck Brand|Spectrum_001063|3-Pyridinecarboxylicacid|Nicotinic acid, Ph Eur|NIACIN [VANDF]|NIACIN [HSDB]|NIACIN [INCI]|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|VITAMIN B-3|3-Pyridyl carboxylic acid|Nicotinic acid-d3(major)|Nicotinamide-carbonyl-14C|Nicotinic acid; (Niacin)|WLN: T6NJ CVQ|3-pyridine carboxylic acid|Astra Brand of Niacinamide|bmse000104|D06NVJ|Merck Brand of Niacinamide|Niacinamide Jenapharm Brand|Nicotinic acid, >=98%|Nicotinic acid, USP grade|SCHEMBL1433|Nicotinamide (JP15/INN)|Nicotinic acid [INN:BAN]|Nicotinic acid; (Niacin)|NICOTINIC ACID [MI]|Niacinamide Pharmagenix Brand|Oprea1_514398|VITAMIN B3 [VANDF]|BSPBio_000662|BSPBio_002069|KBioGR_001309|KBioSS_001543|NIACIN [ORANGE BOOK]|NICOTINIC ACID [JAN]|Nicotinic acid (Vitamin B3)|BIDD:GT0644|DivK1c_000695|Nicotinic acid (JP17/INN)|SIMCOR COMPONENT NIACIN|SPECTRUM1500430|.beta.-Pyridinecarboxylic acid|Jenapharm Brand of Niacinamide|SPBio_000011|SPBio_002881|ADVICOR COMPONENT NIACIN|NIACIN [USP MONOGRAPH]|NICOTINIC ACID [VANDF]|BPBio1_000730|GTPL1588|GTPL1594|NICOTINIC ACID [MART.]|NICOTINIC ACID [WHO-DD]|NICOTINIC ACID [WHO-IP]|Pharmagenix Brand of Niacinamide|BDBM23515|HMS502C17|KBio1_000695|KBio2_001543|KBio2_004111|KBio2_006679|KBio3_001569|ABT-919|NIACIN COMPONENT OF SIMCOR|NICOTINIC ACID [EMA EPAR]|NINDS_000695|HMS1570B04|HMS1920P17|HMS2091H22|HMS2097B04|HMS2236A05|HMS3259K21|HMS3371E07|HMS3655K08|HMS3714B04|NIACIN COMPONENT OF ADVICOR|Pharmakon1600-01500430|Nicotinic acid, analytical standard|BCP16301|HY-B0143|STR00112|Tox21_110337|Tox21_201420|Tox21_302904|AC8691|BBL037343|CCG-38340|NICOTINIC ACID [EP IMPURITY]|Nicotinic acid, for synthesis, 99%|NSC169454|NSC757241|s1744|STK301803|NICOTINIC ACID [EP MONOGRAPH]|AKOS000118980|Nicotinic acid, >=99.5% (HPLC)|Tox21_110337_1|AM81316|CS-1946|DB00627|LS-2334|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|NCGC00094734-01|NCGC00094734-02|NCGC00256537-01|NCGC00258971-01|AC-22484|ACIDUM NICOTINICUM [WHO-IP LATIN]|BP-21419|NCI60_001041|Nicotinic acid, NIST(R) SRM(R) 148|Nicotinic acid, plant cell culture tested|SY011111|SBI-0051456.P003|Nicotinic Acid [Matrix for MALDI-TOF/MS]|AB00052050|FT-0600004|FT-0672715|FT-0672716|FT-0672717|FT-0672718|FT-0773496|N0082|N1103|Nicotinic acid 10 microg/mL in Acetonitrile|Nicotinic acid, purum, >=99.0% (HPLC)|SW197229-3|EN300-16693|C00253|D00049|Niacinamide, Nicotinic acid amide, Nicotinamide|Nicotinic acid, SAJ special grade, >=99.5%|AB00052050-13|AB00052050_14|AB00052050_15|Nicotinic acid, meets USP testing specifications|AC-907/25014105|L001199|METHYL NICOTINATE IMPURITY A [EP IMPURITY]|Nicotinic acid, Vetec(TM) reagent grade, >=98%|Q134658|J-523605|SR-01000722017-2|SR-01000722017-3|SR-01000722017-4|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)|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% |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 0.860 |
| Log Po/w (XLOGP3) : 0.360 |
| Log Po/w (WLOGP) : 0.780 |
| Log Po/w (MLOGP) : -1.130 |
| Log Po/w (SILICOS-IT) : 0.750 |
| Consensus Log Po/w : 0.320 |

