Mrv0541 11121414332D          

 10 10  0  0  0  0            999 V2000
    8.1199  -15.1318    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.8343  -14.7194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5487  -15.1318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2632  -14.7193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9777  -15.1319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2633  -13.8944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9777  -13.4819    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.8343  -13.8944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1199  -13.4818    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.5488  -13.4819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  6 10  2  0  0  0  0
M  END
> <ID>
CHEBI:83490

> <NAME>
3,5,6-trichloropyridine-2-one

> <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.

> <STAR>
3

> <SYNONYM>
3,5,6-trichloro-2-pyridin-2-one

> <IUPAC_NAME>
3,5,6-trichloropyridin-2(1H)-one

> <FORMULA>
C5H2Cl3NO

> <MASS>
198.43400

> <MONOISOTOPIC_MASS>
196.92020

> <CHARGE>
0

> <SMILES>
Clc1cc(Cl)c(=O)[nH]c1Cl

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

> <INCHIKEY>
WCYYAQFQZQEUEN-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
6515-38-4

> <REAXYS_REGISTRY_NUMBER>
1448677

> <CHEMIDPLUS>
6515-38-4

$$$$