2-Chloro-8-methylquinoline-3-carboxaldehyde

C₁₁H₈ClNOCAS 73568-26-0205.64 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
Melting point: 138 °C
logP: 3.01Crippen estimate
Polar surface area: 30.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 41 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

73568-26-0

SMILES

Cc1cccc2cc(C=O)c(Cl)nc12

InChIKey

YPBRSXNRWFUUOE-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

4 names

3-Quinolinecarboxaldehyde, 2-chloro-8-methyl-
2-Chloro-8-methyl-3-quinolinecarboxaldehyde
2-Chloro-3-formyl-8-methylquinoline
2-Chloro-8-methyl-3-quinolinecarbaldehyde

Work with 2-Chloro-8-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-3-quinolinecarboxaldehyde73568-25-959 % similar 2-Chloro-6-methoxyquinoline-3-carboxaldehyde73568-29-347 % similar 2,3-Dimethylbenzaldehyde5779-93-144 % similar 2-Methylbenzaldehyde529-20-443 % similar 2-Chloro-6-methylbenzaldehyde1194-64-543 % similar 2,8-Dimethylquinoline1463-17-843 % similar 2,6-Dichloro-3-pyridinecarboxaldehyde55304-73-943 % similar 2,3-Naphthalenedicarboxaldehyde7149-49-742 % 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-6-methylquinoline-3-carboxaldehyde73568-27-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook