Molecule ID: 54690916

IUPAC Name: 4-carboxy-5-formyl-2-methylpyridin-3-olate

Description: The molecule is a pyridinemonocarboxylate resulting from the deprotonation of the carboxy group of 5-formyl-3-hydroxy-2-methylpyridine-4-carboxylic acid. The major species at pH 7.3. It is a conjugate base of a 5-formyl-3-hydroxy-2-methylpyridine-4-carboxylic acid.

SMILES: Cc1ncc(C=O)c(C(=O)O)c1[O-]

SELFIES: [C][C][=N][C][=C][Branch1][Ring1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][O][O-1]

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)/p-1

Molecular Properties:
- Polar Surface Area: 90.3 Ų
- LogP: 1.1