Molecule ID: 135476774

IUPAC Name: 5-[(E)-3-carboxy-3-oxoprop-1-enyl]-4-hydroxy-6-oxo-1H-pyridine-2-carboxylic acid

Description: The molecule is an oxo dicarboxylic acid that is 4-hydroxy-6-oxo-1,6-dihydropyridine-2-carboxylic acid substituted by a 3-carboxy-3-oxoprop-1-en-1-yl group at position 5. It is an oxo dicarboxylic acid and a pyridone. It derives from a picolinic acid. It is a conjugate acid of a 5-(3-carboxy-3-oxoprop-1-en-1-yl)-4-hydroxy-6-oxo-1,6-dihydropyridine-2-carboxylate.

SMILES: O=C(O)C(=O)/C=C/c1c(O)cc(C(=O)O)nc1O

SELFIES: [O][=C][Branch1][C][O][C][=Branch1][C][=O][/C][=C][/C][=C][Branch1][C][O][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][=C][Ring1][#Branch2][O]

InChI: InChI=1S/C10H7NO7/c12-6(10(17)18)2-1-4-7(13)3-5(9(15)16)11-8(4)14/h1-3H,(H,15,16)(H,17,18)(H2,11,13,14)/b2-1+

Molecular Properties:
- Polar Surface Area: 141.0 Ų
- LogP: -0.9