CHEBI:83490 - 3,5,6-trichloropyridine-2-one

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ChEBI Name 3,5,6-trichloropyridine-2-one
ChEBI ID CHEBI:83490
Definition A pyridone that is pyridin-2(1H)-one substituted by chloro groups at positions 3, 5 and 6. It is a metabolite of the agrochemical chlorpyrifos.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB5743506, eMolecules:36759534, eMolecules:499210, ZINC000002033904
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Formula C5H2Cl3NO
Net Charge 0
Average Mass 198.43400
Monoisotopic Mass 196.92020
InChI InChI=1S/C5H2Cl3NO/c6-2-1-3(7)5(10)9-4(2)8/h1H,(H,9,10)
InChIKey WCYYAQFQZQEUEN-UHFFFAOYSA-N
SMILES Clc1cc(Cl)c(=O)[nH]c1Cl
Roles Classification
Biological Role(s): marine xenobiotic metabolite
Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.
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ChEBI Ontology
Outgoing 3,5,6-trichloropyridine-2-one (CHEBI:83490) has role marine xenobiotic metabolite (CHEBI:83399)
3,5,6-trichloropyridine-2-one (CHEBI:83490) is a chloropyridine (CHEBI:39173)
3,5,6-trichloropyridine-2-one (CHEBI:83490) is a pyridone (CHEBI:38183)
3,5,6-trichloropyridine-2-one (CHEBI:83490) is tautomer of 3,5,6-trichloro-2-pyridinol (CHEBI:143794)
Incoming 3,5,6-trichloro-2-pyridinol (CHEBI:143794) is tautomer of 3,5,6-trichloropyridine-2-one (CHEBI:83490)
IUPAC Name
3,5,6-trichloropyridin-2(1H)-one
Synonym Source
3,5,6-trichloro-2-pyridin-2-one ChEBI
Registry Numbers Types Sources
1448677 Reaxys Registry Number Reaxys
6515-38-4 CAS Registry Number ChemIDplus
Last Modified
10 June 2019