5-Chloroquinoline

C9H6ClNCAS 635-27-8163.60 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

Warning
Irritant (GHS07)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
635-27-8
SMILES
C1=CC2=C(C=CC=N2)C(=C1)Cl
InChIKey
HJSRGOVAIOPERP-UHFFFAOYSA-N
InChI
InChI=1S/C9H6ClN/c10-8-4-1-5-9-7(8)3-2-6-11-9/h1-6H

Weigh it out

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

Work with 5-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

5-Bromoquinoline4964-71-057 % similar 5-Hydroxyquinoline578-67-655 % similar 5-Aminoquinoline611-34-755 % similar 4,5-Dichloroquinoline21617-18-554 % similar 1,5-Naphthyridine254-79-552 % similar 2,3-Dichloropyridine2402-77-952 % similar 4,8-Dichloroquinoline21617-12-952 % similar 4,6-Dichloroquinoline4203-18-352 % 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 3-Chloroquinoline612-59-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook