chempirical

2-(Trifluoromethyl)pyridine

C6H4F3NCAS 368-48-9147.10 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
143 °C (at 745.5 Torr)
logP
2.10Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
368-48-9
SMILES
FC(F)(F)c1ccccn1
InChIKey
ATRQECRSCHYSNP-UHFFFAOYSA-N
InChI
InChI=1S/C6H4F3N/c7-6(8,9)5-3-1-2-4-10-5/h1-4H

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

Names and synonyms

1 names
  • Pyridine, 2-(trifluoromethyl)-

Work with 2-(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-(Trifluoromethyl)pyrimidine116470-67-848 % similar 2-Trifluoromethyl-4-chloropyridine131748-14-647 % similar 4-Iodo-2-(trifluoromethyl)pyridine590371-73-647 % similar 2-Fluoro-6-(trifluoromethyl)pyridine94239-04-045 % similar 5-Amino-2-(trifluoromethyl)pyridine106877-33-243 % similar 6-(Trifluoromethyl)-3-pyridinol216766-12-043 % similar 2-Fluoropyridine372-48-542 % similar 2-Chloro-3-(trifluoromethyl)pyridine65753-47-142 % 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 3-(Trifluoromethyl)pyridine3796-23-4 4-(Trifluoromethyl)pyridine3796-24-5 2,3,4-Trifluoroaniline3862-73-5

Elsewhere

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