chempirical

3-(Trifluoromethyl)pyridine

C6H4F3NCAS 3796-23-4147.10 g/mol

Open in Covalent MOL file
FFFN
Alkyl halide

Properties

Molecular formula
C6H4F3N
Molar mass
147.10 g/mol
Exact mass
147.0296 Da
Boiling point
114 °C
logP
2.10Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
3796-23-4
SMILES
FC(F)(F)c1cccnc1
InChIKey
JTZSFNHHVULOGJ-UHFFFAOYSA-N
InChI
InChI=1S/C6H4F3N/c7-6(8,9)5-2-1-3-10-4-5/h1-4H

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

Names and synonyms

2 names
  • Pyridine, 3-(trifluoromethyl)-
  • 5-(Trifluoromethyl)pyridine

Work with 3-(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

3,5-Bis(trifluoromethyl)pyridine20857-47-052 % similar Trifluorotoluene98-08-850 % similar 3,5-Bis(trifluoromethyl)benzene402-31-348 % similar 3-Fluoropyridine372-47-446 % similar 1,4-Bis(trifluoromethyl)benzene433-19-243 % similar 2-Fluoro-5-(trifluoromethyl)pyridine69045-82-543 % similar 2-Iodo-5-(trifluoromethyl)pyridine100366-75-442 % similar 5-(Trifluoromethyl)pyridin-3-amine112110-07-342 % 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 4-(Trifluoromethyl)pyridine3796-24-5 2,3,4-Trifluoroaniline3862-73-5

Elsewhere

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