2-Chloro-6-(trifluoromethyl)isonicotinonitrile

C₇H₂ClF₃N₂CAS 1196155-38-0206.55 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Nitrile

Properties

Molecular formula: C₇H₂ClF₃N₂
Molar mass: 206.55 g/mol
Exact mass: 205.9859 Da
logP: 2.63Crippen estimate
Polar surface area: 36.7 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Identifiers

CAS number

1196155-38-0

SMILES

C1=C(C=C(N=C1C(F)(F)F)Cl)C#N

InChIKey

DKJFUZIDAHUIJV-UHFFFAOYSA-N

InChI

InChI=1S/C7H2ClF3N2/c8-6-2-4(3-12)1-5(13-6)7(9,10)11/h1-2H

Weigh it out

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

Work with 2-Chloro-6-(trifluoromethyl)isonicotinonitrile

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

3,5-Bis(trifluoromethyl)benzonitrile27126-93-847 % similar 2-Chloro-4-cyanopyridine33252-30-143 % similar 3-Chloro-4-(trifluoromethyl)benzonitrile1092460-79-143 % similar 4-Chloro-3-(trifluoromethyl)benzonitrile1735-54-243 % similar 3,5-Dichlorobenzonitrile6575-00-442 % similar 3-(Trifluoromethyl)benzonitrile368-77-442 % similar 4-(Trifluoromethyl)benzonitrile455-18-539 % similar 3-Chloro-6-(trifluoromethyl)pyridazine258506-68-238 % similar

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

Elsewhere

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