Molecule ID: 23017

IUPAC Name: 3,5,6-trichloro-1H-pyridin-2-one

Description: The molecule is a hydroxypyridine that is pyridin-2-ol substituted by chloro groups at positions 3,5 and 6. It is a metabolite of the agrochemical chlorpyrifos. It has a role as a human urinary metabolite and a human xenobiotic metabolite. It is a chloropyridine and a hydroxypyridine. It is a tautomer of a 3,5,6-trichloropyridine-2-one.

SMILES: Oc1nc(Cl)c(Cl)cc1Cl

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

InChI: InChI=1S/C5H2Cl3NO/c6-2-1-3(7)5(10)9-4(2)8/h1H,(H,9,10)

Molecular Properties:
- Polar Surface Area: 29.1 Ų
- LogP: 3.2