2-Chloro-7-methyl-3-quinolinecarboxaldehyde

C₁₁H₈ClNOCAS 68236-21-5205.64 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₁₁H₈ClNO
Molar mass: 205.64 g/mol
Exact mass: 205.0294 Da
logP: 3.01Crippen estimate
Polar surface area: 30.0 Å²
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

68236-21-5

SMILES

CC1=CC2=NC(=C(C=C2C=C1)C=O)Cl

InChIKey

YBNADSVXXWMWKH-UHFFFAOYSA-N

InChI

InChI=1S/C11H8ClNO/c1-7-2-3-8-5-9(6-14)11(12)13-10(8)4-7/h2-6H,1H3

Weigh it out

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

Names and synonyms

1 names

2-Chloro-7-methylquinoline-3-carbaldehyde

Work with 2-Chloro-7-methyl-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-3-quinolinecarboxaldehyde73568-25-963 % similar 2-Chloro-6-methoxyquinoline-3-carboxaldehyde73568-29-353 % similar 2,7-Dimethylquinoline93-37-845 % similar 2-Chloro-6-methylquinoline4295-11-844 % similar 2,4-Dimethylbenzaldehyde15764-16-644 % similar 2,5-Dimethylbenzaldehyde5779-94-244 % 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-8-methylquinoline-3-carboxaldehyde73568-26-0 2-Chloro-3-formyl-6-methylquinoline73568-27-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook