2-Chloro-6-(trifluoromethyl)pyridine

C₆H₃ClF₃NCAS 39890-95-4181.54 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₆H₃ClF₃N
Molar mass: 181.54 g/mol
Exact mass: 180.9906 Da
logP: 2.75Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Danger

H300 Fatal if swallowed83.3% of notifiers
H302 Harmful if swallowed10.4% of notifiers
H312 Harmful in contact with skin12.5% of notifiers
H315 Causes skin irritation16.7% of notifiers
H319 Causes serious eye irritation97.9% of notifiers
H332 Harmful if inhaled12.5% of notifiers
H335 May cause respiratory irritation14.6% of notifiers

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

39890-95-4

SMILES

C1=CC(=NC(=C1)Cl)C(F)(F)F

InChIKey

ADVQMCQMDHBTHJ-UHFFFAOYSA-N

InChI

InChI=1S/C6H3ClF3N/c7-5-3-1-2-4(11-5)6(8,9)10/h1-3H

Weigh it out

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

Work with 2-Chloro-6-(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

2,6-Bis(trifluoromethyl)pyridine455-00-570 % similar Nitrapyrin1929-82-459 % similar 2-Fluoro-6-(trifluoromethyl)pyridine94239-04-057 % similar 2-Bromo-6-(trifluoromethyl)pyridine189278-27-155 % similar 2-Amino-6-(trifluoromethyl)pyridine34486-24-355 % similar 2,6-Dichloropyridine2402-78-052 % similar 3-Chloro-6-(trifluoromethyl)pyridazine258506-68-252 % similar 2,4-Dichloro-6-(trifluoromethyl)pyrimidine16097-64-650 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Trifluoromethyl-4-chloropyridine131748-14-6 2-Chloro-5-(trifluoromethyl)pyridine52334-81-3 2-Chloro-3-(trifluoromethyl)pyridine65753-47-1 2-Chloro-4-(trifluoromethyl)pyridine81565-18-6 3-Chloro-4-(trifluoromethyl)pyridine81565-19-7 3-Chloro-5-(trifluoromethyl)pyridine85148-26-1

Elsewhere

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