chempirical

2-Chloro-6-methylquinoline-3-carboxaldehyde

C11H8ClNOCAS 73568-27-1205.64 g/mol

Open in Covalent MOL file
NClO
AldehydeAryl halide

Properties

Molecular formula
C11H8ClNO
Molar mass
205.64 g/mol
Exact mass
205.0294 Da
Melting point
123 °C
logP
3.01Crippen 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
73568-27-1
SMILES
Cc1ccc2nc(Cl)c(C=O)cc2c1
InChIKey
FSLNYYZJXMGKHK-UHFFFAOYSA-N
InChI
InChI=1S/C11H8ClNO/c1-7-2-3-10-8(4-7)5-9(6-14)11(12)13-10/h2-6H,1H3

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Names and synonyms

5 names
  • 2-Chloro-3-formyl-6-methylquinoline
  • 3-Quinolinecarboxaldehyde, 2-chloro-6-methyl-
  • 2-Chloro-6-methyl-3-quinolinecarboxaldehyde
  • 2-Chloro-6-methylquinoline-3-carbaldehyde
  • 2-Chloro-6-methyl-3-quinolinecarbaldehyde

Work with 2-Chloro-6-methylquinoline-3-carboxaldehyde

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-6-methoxyquinoline-3-carboxaldehyde73568-29-364 % similar 2-Chloro-3-quinolinecarboxaldehyde73568-25-963 % similar 2-Chloro-6-methylquinoline4295-11-848 % similar 2,4-Dimethylbenzaldehyde15764-16-644 % similar 2,5-Dimethylbenzaldehyde5779-94-244 % similar 2,6-Dimethylquinoline877-43-044 % similar 2,6-Dichloro-3-pyridinecarboxaldehyde55304-73-943 % similar 2-Hydroxy-4-methylbenzaldehyde698-27-143 % similar

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

Same formula

2-Chloro-7-methyl-3-quinolinecarboxaldehyde68236-21-5 2-Chloro-8-methylquinoline-3-carboxaldehyde73568-26-0

Elsewhere

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