4-Chloro-6-methyl-5-nitro-2-(trifluoromethyl)quinoline

C₁₁H₆ClF₃N₂O₂CAS 175203-61-9290.63 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Nitro

Properties

Molecular formula: C₁₁H₆ClF₃N₂O₂
Molar mass: 290.63 g/mol
Exact mass: 290.0070 Da
logP: 4.12Crippen estimate
Polar surface area: 56.0 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Identifiers

CAS number

175203-61-9

SMILES

Cc1ccc2nc(C(F)(F)F)cc(Cl)c2c1[N+](=O)[O-]

InChIKey

AONWLLRFRJIKFS-UHFFFAOYSA-N

InChI

InChI=1S/C11H6ClF3N2O2/c1-5-2-3-7-9(10(5)17(18)19)6(12)4-8(16-7)11(13,14)15/h2-4H,1H3

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Names and synonyms

1 names

Quinoline, 4-chloro-6-methyl-5-nitro-2-(trifluoromethyl)-

Work with 4-Chloro-6-methyl-5-nitro-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-methyl-2-(trifluoromethyl)quinoline1701-26-449 % similar 1-Chloro-3-methyl-2-nitrobenzene5367-26-049 % similar 2,4-Dichloro-1-methyl-3-nitro-5-(trifluoromethyl)benzene115571-69-245 % similar 4,5,7-Trichloro-2-(trifluoromethyl)quinoline175203-41-545 % similar 4-Chloro-6-fluoro-2-(trifluoromethyl)quinoline59611-55-144 % similar 3,4-Dichloro-2-nitro-6-(trifluoromethyl)toluene115571-66-944 % similar 2-Chloro-4-nitrotoluene121-86-842 % similar 2,6-Dimethylnitrobenzene81-20-941 % similar

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

Same formula

1-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid98534-80-6

Elsewhere

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