Molecular Identity
Nicotinic Acid
pyridine-3-carboxylic acid
PubChem CID: 938
Nicotinic acid is a pyridinemonocarboxylic acid that is pyridine in which the hydrogen at position 3 is replaced by a carboxy group. It has a role as a metabolite, a vasodilator agent, an antilipemic drug, an antidote, a mouse metabolite, a plant metabolite, an Escherichia coli metabolite, a human urinary metabolite and an EC 3.5.1.19 (nicotinamidase) inhibitor. It is a vitamin B3, a pyridine alkaloid and a pyridinemonocarboxylic acid. It is a conjugate acid of a nicotinate.
2D Structure
Properties
C6H5NO2
Molecular Formula
123.11
Molecular Weight
g/mol
123.0320
Exact Mass
Da
0.4
XLogP
Drug-like (Lipinski: < 5)
50.2
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
3
H-Bond Acceptors
114
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC(=CN=C1)C(=O)OIsomeric SMILES
SMILES: C1=CC(=CN=C1)C(=O)OSynonyms(20)
nicotinic acidniacin59-67-6Pyridine-3-carboxylic acid3-pyridinecarboxylic acid3-CarboxypyridineAkotinwampocapApelagrinPellagrinDaskilEfacinNiaspanPeloninLinic
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Nicotinic Acid
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