4-Chloro-6-methyl-2-(trifluoromethyl)quinoline

C₁₁H₇ClF₃NCAS 1701-26-4245.63 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₁₁H₇ClF₃N
Molar mass: 245.63 g/mol
Exact mass: 245.0219 Da
Melting point: 66–68 °C
logP: 4.22Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Identifiers

CAS number

1701-26-4

SMILES

Cc1ccc2nc(C(F)(F)F)cc(Cl)c2c1

InChIKey

ZLSXNETUGWRDSH-UHFFFAOYSA-N

InChI

InChI=1S/C11H7ClF3N/c1-6-2-3-9-7(4-6)8(12)5-10(16-9)11(13,14)15/h2-5H,1H3

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Names and synonyms

2 names

Quinoline, 4-chloro-6-methyl-2-(trifluoromethyl)-
NSC 128775

Work with 4-Chloro-6-methyl-2-(trifluoromethyl)quinoline

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

4-Chloro-6-fluoro-2-(trifluoromethyl)quinoline59611-55-167 % similar 6-Methyl-2-(trifluoromethyl)-4-quinolinol1701-20-865 % similar 6-(Bromomethyl)-4-chloro-2-(trifluoromethyl)-quinoline123637-51-460 % similar 4-Chloro-6-methylquinoline18436-71-050 % similar 4-Chloro-6-methyl-5-nitro-2-(trifluoromethyl)quinoline175203-61-949 % similar 4-Chloro-2,8-bis(trifluoromethyl)quinoline83012-13-949 % similar 4,5,7-Trichloro-2-(trifluoromethyl)quinoline175203-41-549 % similar 4-Chloro-6-fluoro-2-methylquinoline18529-01-643 % similar

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

Elsewhere

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