Molecule ID: 54675774

IUPAC Name: 5-(3-carboxy-3-oxopropyl)-4-hydroxy-6-oxo-1H-pyridine-2-carboxylic acid

Description: The molecule is a pyridone that is 4-hydroxy-6-oxo-1,6-dihydropyridine-2-carboxylic acid substituted by a 3-carboxy-3-oxopropyl group at position 5. It is an oxo dicarboxylic acid, a pyridone and a monohydroxypyridine. It is a conjugate acid of a 5-(3'-carboxy-3'-oxopropyl)-4,6-dihydroxypicolinate.

SMILES: O=C(O)C(=O)CCc1c(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/C10H9NO7/c12-6(10(17)18)2-1-4-7(13)3-5(9(15)16)11-8(4)14/h3H,1-2H2,(H,15,16)(H,17,18)(H2,11,13,14)

Molecular Properties:
- Polar Surface Area: 141.0 Ų
- LogP: -1.0