Molecule ID: 440898

IUPAC Name: 5-formyl-3-hydroxy-2-methylpyridine-4-carboxylic acid

Description: The molecule is a pyridinemonocarboxylic acid that is pyridine-4-carboxylic acid substituted by a methyl group, hydroxy group and formyl group at positions 2,3 and 5, respectively. It is a pyridinecarbaldehyde, a monohydroxypyridine, a pyridinemonocarboxylic acid and a member of methylpyridines. It is a conjugate acid of a 5-formyl-3-hydroxy-2-methylpyridine-4-carboxylate.

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

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

InChI: InChI=1S/C8H7NO4/c1-4-7(11)6(8(12)13)5(3-10)2-9-4/h2-3,11H,1H3,(H,12,13)

Molecular Properties:
- Polar Surface Area: 87.5 Ų
- LogP: 0.4