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

Hazards

Danger

H227 Combustible liquid33.3% of notifiers
H302 Harmful if swallowed33.3% of notifiers
H314 Causes severe skin burns and eye damage33.3% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403, P403+P233, P405, P501

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

Weigh it out

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

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

6-(Trifluoromethyl)pyridine-3-methanol386704-04-763 % similar 5-(Aminomethyl)-2-(trifluoromethyl)pyridine387350-39-263 % similar 4-Trifluoromethylbenzyl chloride939-99-152 % similar 2-Chloro-5-(chloromethyl)pyridine70258-18-350 % similar 5-Amino-2-(trifluoromethyl)pyridine106877-33-248 % similar 5-Hydroxy-2-(trifluoromethyl)pyridine216766-12-048 % similar 5-Bromo-2-(trifluoromethyl)pyridine436799-32-548 % similar 6-(Trifluoromethyl)nicotinoyl chloride358780-13-945 % 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 3-Chloro-2-(trifluoromethyl)aniline432-21-3 2-Chloro-6-(trifluoromethyl)benzenamine433-94-3 2-Trifluoromethyl-4-chloroaniline445-03-4 3-Chloro-4-trifluoromethylaniline445-13-6

Elsewhere

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