3,5,6-trichloro-2-pyridinol

Synonyms: "2-hydroxy-3,5,6-trichloropyridine", "3,5,6-trichloro-2(1H)-pyridinone", "3,5,6-trichloro-2-pyridone"

Source: 3,5,6-trichloro-2-pyridinol is a metabolite of chlorpyrifos and chlorpyrifos-methyl, both organophosphate insecticides.

Identifiers:

IUPAC Name: 3,5,6-trichloro-1H-pyridin-2-one
CAS Number: 6515-38-4
PubChem ID: 23017
InChiKey: WCYYAQFQZQEUEN-UHFFFAOYSA-N
Canonical SMILES: C1=C(C(=O)NC(=C1Cl)Cl)Cl

Structural Properties:

Molecular Formula: C5H2Cl3NO
Molecular Weight: 198,43448

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 1
Number of atoms different from hydrogen: 10

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Toxicological Information

ACToR (Aggregated Computational Toxicology Resource)

GENE-TOX

CTD (Comparative Toxicogenomics Database)

Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors


Schuh RA, Lein PJ, Beckles RA, Jett DA. 2002. Noncholinesterase mechanisms of chlorpyrifos neurotoxicity: altered phosphorylation of Ca2+/cAMP response element binding protein in cultured neurons. Toxicol Appl Pharmacol 182(2):176-185.

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