4-(Trifluoromethyl)pyridine

C₆H₄F₃NCAS 3796-24-5147.10 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₄F₃N
Molar mass: 147.10 g/mol
Exact mass: 147.0296 Da
Boiling point: 108–110 °C
logP: 2.10Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Identifiers

CAS number

3796-24-5

SMILES

FC(F)(F)c1ccncc1

InChIKey

IIYVNMXPYWIJBL-UHFFFAOYSA-N

InChI

InChI=1S/C6H4F3N/c7-6(8,9)5-1-3-10-4-2-5/h1-4H

Weigh it out

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

Names and synonyms

1 names

Pyridine, 4-(trifluoromethyl)-

Work with 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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,4-Bis(trifluoromethyl)benzene433-19-261 % similar Trifluorotoluene98-08-852 % similar 2-Fluoro-4-(trifluoromethyl)pyridine118078-66-348 % similar 3,5-Bis(trifluoromethyl)pyridine20857-47-048 % similar 4-tert-Butylpyridine3978-81-248 % similar 4-Fluorobenzotrifluoride402-44-848 % similar 2-Amino-4-(trifluoromethyl)pyridine106447-97-646 % similar 2-Bromo-4-(trifluoromethyl)pyridine175205-81-946 % similar

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

Same formula

3,4,5-Trifluorobenzenamine163733-96-8 2,4,6-Trifluorobenzenamine363-81-5 2,4,5-Trifluoroaniline367-34-0 2-(Trifluoromethyl)pyridine368-48-9 3-(Trifluoromethyl)pyridine3796-23-4 2,3,4-Trifluoroaniline3862-73-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook