chempirical

3-Chloroquinoline

C9H6ClNCAS 612-59-9163.60 g/mol

Open in Covalent MOL file
NCl
Aryl halide

Properties

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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
612-59-9
SMILES
C1=CC=C2C(=C1)C=C(C=N2)Cl
InChIKey
FLORQCMDMHHIHN-UHFFFAOYSA-N
InChI
InChI=1S/C9H6ClN/c10-8-5-7-3-1-2-4-9(7)11-6-8/h1-6H

Weigh it out

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

Work with 3-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Bromoquinoline5332-24-153 % similar 3-Aminoquinoline580-17-653 % similar 3-Hydroxyquinoline580-18-753 % similar 3-Methylquinoline612-58-853 % similar 3-Quinolinecarbonitrile34846-64-550 % similar 3-Quinolinecarboxaldehyde13669-42-648 % similar 3-Quinolineboronic acid191162-39-748 % similar 5-Chloro-7-azaindole866546-07-847 % similar

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

Same formula

1-Chloroisoquinoline19493-44-8 3-Chloroisoquinoline19493-45-9 8-Chloroisoquinoline34784-07-1 5-Chloroisoquinoline5430-45-5 8-Chloroquinoline611-33-6 4-Chloroquinoline611-35-8 6-Chloroquinoline612-57-7 7-Chloroquinoline612-61-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook