chempirical

2-Chloroquinoline

C9H6ClNCAS 612-62-4163.60 g/mol

Open in Covalent MOL file
ClN
Aryl halide

Properties

Molecular formula
C9H6ClN
Molar mass
163.60 g/mol
Exact mass
163.0189 Da
Melting point
38 °C
Boiling point
266 °C
logP
2.89Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
612-62-4
SMILES
Clc1ccc2ccccc2n1
InChIKey
OFUFXTHGZWIDDB-UHFFFAOYSA-N
InChI
InChI=1S/C9H6ClN/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

2 names
  • Quinoline, 2-chloro-
  • NSC 6163

Work with 2-Chloroquinoline

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,2'-Biquinoline119-91-556 % similar 2,6-Dichloroquinoline1810-72-655 % similar 2,9-Dichloro-1,10-phenanthroline29176-55-452 % similar 2-Chloroquinoxaline1448-87-950 % similar 2-Quinolone59-31-450 % similar Quinaldine91-63-450 % similar 2-Chloro-1,10-phenanthroline7089-68-148 % similar 2-Hydrazinoquinoline15793-77-848 % similar

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

Same formula

3-Chloroisoquinoline19493-45-9 8-Chloroquinoline611-33-6 4-Chloroquinoline611-35-8 6-Chloroquinoline612-57-7 7-Chloroquinoline612-61-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia