chempirical

2-Chloro-3-quinolinecarboxaldehyde

C10H6ClNOCAS 73568-25-9191.61 g/mol

Open in Covalent MOL file
NClO
AldehydeAryl halide

Properties

Molecular formula
C10H6ClNO
Molar mass
191.61 g/mol
Exact mass
191.0138 Da
logP
2.70Crippen estimate
Polar surface area
30.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

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
73568-25-9
SMILES
C1=CC=C2C(=C1)C=C(C(=N2)Cl)C=O
InChIKey
SDKQWXCBSNMYBN-UHFFFAOYSA-N
InChI
InChI=1S/C10H6ClNO/c11-10-8(6-13)5-7-3-1-2-4-9(7)12-10/h1-6H

Weigh it out

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

Names and synonyms

1 names
  • 2-Chloroquinoline-3-carbaldehyde

Work with 2-Chloro-3-quinolinecarboxaldehyde

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

2-Chloro-7-methyl-3-quinolinecarboxaldehyde68236-21-563 % similar 2-Chloro-3-formyl-6-methylquinoline73568-27-163 % similar 2-Chloro-8-methylquinoline-3-carboxaldehyde73568-26-059 % similar 2-Chloro-6-methoxyquinoline-3-carboxaldehyde73568-29-359 % similar 2-Chloro-3-methylquinoline57876-69-453 % similar 2,3-Naphthalenedicarboxaldehyde7149-49-752 % similar 2-Chloro-3-(chloromethyl)quinoline90097-52-250 % similar 2-Chloro-3-quinolinecarboxylic acid73776-25-749 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook