chempirical

6-Chloroquinoline

C9H6ClNCAS 612-57-7163.60 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
43.8 °C
Boiling point
263 °C
logP
2.89Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
612-57-7
SMILES
Clc1ccc2ncccc2c1
InChIKey
GKJSZXGYFJBYRQ-UHFFFAOYSA-N
InChI
InChI=1S/C9H6ClN/c10-8-3-4-9-7(6-8)2-1-5-11-9/h1-6H

Weigh it out

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

Names and synonyms

2 names
  • Quinoline, 6-chloro-
  • NSC 4682

Work with 6-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

6-Fluoroquinoline396-30-560 % similar 6-Iodoquinoline13327-31-655 % similar 6-Bromoquinoline5332-25-255 % similar 6-Aminoquinoline580-15-455 % similar 6-Hydroxyquinoline580-16-555 % similar 6-Methylquinoline91-62-355 % similar Quinoline91-22-552 % similar 6-Quinolinemethanol100516-88-950 % 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 7-Chloroquinoline612-61-3 2-Chloroquinoline612-62-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook