Molecule ID: 90657282

IUPAC Name: 5-hydroxypyridine-2,3,6-trione

Description: The molecule is a pyridone that is pyridine-2,5-dione which is substituted at positions 3 and 6 by hydroxy groups. A metabolite of the agrochemical, chlorpyrifos. It has a role as a bacterial xenobiotic metabolite. It is a hydroxypyridine, a pyridone and an enol. It is a conjugate acid of a 3,6-dihydroxypyridine-2,5-dione(1-).

SMILES: O=C1C=C(O)C(O)=NC1=O

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

InChI: InChI=1S/C5H3NO4/c7-2-1-3(8)5(10)6-4(2)9/h1,7H,(H,6,9,10)

Molecular Properties:
- Polar Surface Area: 83.5 Ų
- LogP: -1.0