2-Chloro-3-fluoro-4-(trifluoromethyl)pyridine

C₆H₂ClF₄NCAS 628692-22-8199.53 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₆H₂ClF₄N
Molar mass: 199.53 g/mol
Exact mass: 198.9812 Da
logP: 2.89Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Danger

H300 Fatal if swallowed86.4% of notifiers
H302 Harmful if swallowed13.6% of notifiers
H312 Harmful in contact with skin13.6% of notifiers
H315 Causes skin irritation97.7% of notifiers
H319 Causes serious eye irritation97.7% of notifiers
H332 Harmful if inhaled13.6% of notifiers
H335 May cause respiratory irritation97.7% of notifiers

Aggregated from 44 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

628692-22-8

SMILES

Fc1c(C(F)(F)F)ccnc1Cl

InChIKey

YKQVABFVOGPIKX-UHFFFAOYSA-N

InChI

InChI=1S/C6H2ClF4N/c7-5-4(8)3(1-2-12-5)6(9,10)11/h1-2H

Weigh it out

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

Names and synonyms

2 names

Pyridine, 2-chloro-3-fluoro-4-(trifluoromethyl)-
2-Chloro-3-fluoro-4-trifluoromethylpyridine

Work with 2-Chloro-3-fluoro-4-(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-3-(trifluoromethyl)pyridine65753-47-156 % similar 2-Chloro-3-fluoro-4-iodopyridine148639-07-052 % similar 2-Chloro-3-fluoro-4-methylpyridine881891-82-352 % similar 2-Chloro-3-fluoro-4-formylpyridine329794-28-747 % similar 2-Chloro-3-fluoropyridine-4-boronic acid937595-71-647 % similar 1,2-Difluoro-3-(trifluoromethyl)benzene64248-59-545 % similar 3-Bromo-2-fluorobenzotrifluoride144584-67-844 % similar 2-Chloro-3-fluoropyridine-4-carboxylic acid628691-93-044 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Chloro-2-fluoro-5-(trifluoromethyl)pyridine72537-17-8 2-Chloro-3-fluoro-5-(trifluoromethyl)pyridine72600-67-0

Elsewhere

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