Molecule ID: 440474

IUPAC Name: 5-hydroxy-4-(hydroxymethyl)-6-methylpyridine-3-carboxylic acid

Description: The molecule is a pyridinemonocarboxylic acid that is pyridine-3-carboxylic acid substituted by a hydroxy group at position 5, hydroxy methyl group at position 4 and a methyl group at position 6. It has a role as a human urinary metabolite. It is a monohydroxypyridine, a hydroxymethylpyridine, a member of methylpyridines and a pyridinemonocarboxylic acid. It derives from a nicotinic acid. It is a conjugate acid of a 5-pyridoxate.

SMILES: Cc1ncc(C(=O)O)c(CO)c1O

SELFIES: [C][C][=N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][Ring1][C][O][=C][Ring1][O][O]

InChI: InChI=1S/C8H9NO4/c1-4-7(11)6(3-10)5(2-9-4)8(12)13/h2,10-11H,3H2,1H3,(H,12,13)

Molecular Properties:
- Polar Surface Area: 90.6 Ų
- LogP: 0.1