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> Main
CHEBI:83490 - 3,5,6-trichloropyridine-2-one
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ChEBI Ontology
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ChEBI Name
3,5,6-trichloropyridine-2-one
ChEBI ID
CHEBI:83490
Definition
A pyridone that is pyridin-2(1
H
)-one substituted by chloro groups at positions 3, 5 and 6. It is a metabolite of the agrochemical chlorpyrifos.
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This entity has been manually annotated by the ChEBI Team.
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Molfile
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.
View more via ChEBI Ontology
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(1
H
)-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