2-Fluoro-5-(trifluoromethyl)pyridine

C₆H₃F₄NCAS 69045-82-5165.09 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₆H₃F₄N
Molar mass: 165.09 g/mol
Exact mass: 165.0202 Da
logP: 2.24Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Warning

H226 Flammable liquid and vaporFlammable liquids
H317 May cause an allergic skin reactionSensitization, Skin
H412 Harmful to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 613-071-00-3), via PubChem.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P272, P273, P280, P302+P352, P303+P361+P353, P321, P333+P317, P362+P364, P370+P378, P403+P235, P501

Identifiers

CAS number

69045-82-5

SMILES

Fc1ccc(C(F)(F)F)cn1

InChIKey

UUODQIKUTGWMPT-UHFFFAOYSA-N

InChI

InChI=1S/C6H3F4N/c7-5-2-1-4(3-11-5)6(8,9)10/h1-3H

Weigh it out

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

Names and synonyms

2 names

Pyridine, 2-fluoro-5-(trifluoromethyl)-
2-Fluoro-5-trifluoromethylpyridine

Work with 2-Fluoro-5-(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-(trifluoromethyl)pyridine52334-81-361 % similar 2-Iodo-5-(trifluoromethyl)pyridine100366-75-455 % similar 2-Bromo-5-(trifluoromethyl)pyridine50488-42-155 % similar 5-(Trifluoromethyl)pyridin-2-amine74784-70-655 % similar 5-(Trifluoromethyl)pyridin-2-ylboronic acid1162257-58-055 % similar 5-(Trifluoromethyl)pyridine-2-carbaldehyde31224-82-552 % similar 2-Hydrazinyl-5-(trifluoromethyl)pyridine89570-85-452 % similar 5-(Trifluoromethyl)-2-pyridinemethanamine164341-39-350 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Fluoro-4-(trifluoromethyl)pyridine113770-87-9 2-Fluoro-4-(trifluoromethyl)pyridine118078-66-3 2,3,4,6-Tetrafluorobenzenamine363-73-5 2,3,4,5-Tetrafluoroaniline5580-80-3 2-Fluoro-3-(trifluoromethyl)pyridine65753-52-8 2,3,5,6-Tetrafluorobenzenamine700-17-4 3-Fluoro-2-(trifluoromethyl)pyridine886510-21-0 2-Fluoro-6-(trifluoromethyl)pyridine94239-04-0

Elsewhere

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