2-Chloro-6-methoxyquinoline-3-carboxaldehyde

C11H8ClNO2CAS 73568-29-3221.64 g/mol

Open in Covalent MOL file
ONClO
AldehydeAryl halideEther

Properties

Molecular formula
C11H8ClNO2
Molar mass
221.64 g/mol
Exact mass
221.0244 Da
Melting point
143–144 °C
logP
2.71Crippen estimate
Polar surface area
39.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 44 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
73568-29-3
SMILES
COc1ccc2nc(Cl)c(C=O)cc2c1
InChIKey
TZQOMBXDCIPJKW-UHFFFAOYSA-N
InChI
InChI=1S/C11H8ClNO2/c1-15-9-2-3-10-7(5-9)4-8(6-14)11(12)13-10/h2-6H,1H3

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Names and synonyms

4 names
  • 3-Quinolinecarboxaldehyde, 2-chloro-6-methoxy-
  • 2-Chloro-6-methoxy-3-quinolinecarboxaldehyde
  • 2-Chloro-3-formyl-6-methoxyquinoline
  • 2-Chloro-6-methoxyquinoline-3-carbaldehyde

Work with 2-Chloro-6-methoxyquinoline-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-methylquinoline-3-carboxaldehyde73568-27-164 % similar 2-Chloro-3-quinolinecarboxaldehyde73568-25-959 % similar 2,3-Dichloro-6-methoxyquinoxaline39267-04-455 % similar 2-Chloro-7-methyl-3-quinolinecarboxaldehyde68236-21-553 % similar 2-Bromo-4-methoxybenzaldehyde43192-31-049 % similar 2,5-Dimethoxybenzaldehyde93-02-749 % similar 2,4-Dimethoxybenzaldehyde613-45-648 % similar 2-Chloro-8-methylquinoline-3-carboxaldehyde73568-26-047 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Methyl-3-phenylisoxazole-4-carbonyl chloride16883-16-2 1-(3-Chloro-4-methylphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione52845-68-8

Elsewhere

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