chempirical

6-Chloro-2(1H)-quinoxalinone

C8H5ClN2OCAS 2427-71-6180.59 g/mol

Open in Covalent MOL file
ONClHN
Aryl halide

Properties

Molecular formula
C8H5ClN2O
Molar mass
180.59 g/mol
Exact mass
180.0090 Da
Melting point
305 °C
Boiling point
160–170 °C (at 10 Torr)
logP
1.58Crippen estimate
Polar surface area
45.8 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
2427-71-6
SMILES
O=c1cnc2cc(Cl)ccc2[nH]1
InChIKey
SJAZZQLTKBYDHN-UHFFFAOYSA-N
InChI
InChI=1S/C8H5ClN2O/c9-5-1-2-6-7(3-5)10-4-8(12)11-6/h1-4H,(H,11,12)

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Names and synonyms

8 names
  • 2(1H)-Quinoxalinone, 6-chloro-
  • 2-Quinoxalinol, 6-chloro-
  • 6-Chloro-2-hydroxyquinoxaline
  • 6-Chloro-2-quinoxalinol
  • 6-Chloroquinoxalone
  • 6-Chloroquinoxalin-2-one
  • 6-Chloro-1,2-dihydroquinoxalin-2-one
  • 2-Hydroxy-6-chloroquinoxaline

Work with 6-Chloro-2(1H)-quinoxalinone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

6-Bromo-2(1H)-quinoxalinone55687-34-861 % similar 2(1H)-Quinoxalinone1196-57-256 % similar 2,6-Dichloroquinoxaline18671-97-142 % similar Pigment red 2023089-17-641 % similar 2-Amino-5-chlorobenzimidazole5418-93-941 % similar 5-Chlorobenzimidazole4887-82-539 % similar 5-Chloro-1H-indazole698-26-039 % similar 6-Chloro-1H-pyrrolo[3,2-B]pyridine1021339-19-438 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook