5-(Chloromethyl)-2-(trifluoromethyl)pyridine

C₇H₅ClF₃NCAS 386715-33-9195.57 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₅ClF₃N
Molar mass: 195.57 g/mol
Exact mass: 195.0063 Da
logP: 2.84Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

386715-33-9

SMILES

FC(F)(F)c1ccc(CCl)cn1

InChIKey

PRPAYPBERKUDKO-UHFFFAOYSA-N

InChI

InChI=1S/C7H5ClF3N/c8-3-5-1-2-6(12-4-5)7(9,10)11/h1-2,4H,3H2

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Names and synonyms

3 names

Pyridine, 5-(chloromethyl)-2-(trifluoromethyl)-
3-Chloromethyl-6-(trifluoromethyl)pyridine
(6-Trifluoromethylpyridin-3-yl)methyl chloride

Work with 5-(Chloromethyl)-2-(trifluoromethyl)pyridine

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-5-(chloromethyl)pyridine70258-18-350 % similar 5-Amino-2-(trifluoromethyl)pyridine106877-33-248 % similar 6-(Trifluoromethyl)-3-pyridinol216766-12-048 % similar 5-Methoxy-2-(trifluoromethyl)pyridine216766-13-144 % similar 3,5-Bis(trifluoromethyl)benzyl chloride75462-59-842 % similar 3-(Trifluoromethyl)benzyl chloride705-29-342 % similar 6-(Trifluoromethyl)pyridine-3-amidine hydrochloride221313-11-741 % similar 2-Chloro-5-(trifluoromethyl)pyrazine799557-87-241 % similar

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

Same formula

2-Chloro-5-(trifluoromethyl)aniline121-50-6 2-Chloro-6-methyl-4-(trifluoromethyl)pyridine22123-14-4 4-Chloro-3-(trifluoromethyl)aniline320-51-4 2-Chloro-4-trifluoromethylaniline39885-50-2 2-Chloro-6-(trifluoromethyl)benzenamine433-94-3 2-Trifluoromethyl-4-chloroaniline445-03-4 3-Chloro-4-trifluoromethylaniline445-13-6 3-Chloro-5-(trifluoromethyl)benzenamine69411-05-8

Elsewhere

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