3,4,5-Trifluoropyridine

C₅H₂F₃NCAS 67815-54-7133.07 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₂F₃N
Molar mass: 133.07 g/mol
Exact mass: 133.0139 Da
logP: 1.50Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

67815-54-7

SMILES

C1=C(C(=C(C=N1)F)F)F

InChIKey

OCKWONYIDVFISR-UHFFFAOYSA-N

InChI

InChI=1S/C5H2F3N/c6-3-1-9-2-4(7)5(3)8/h1-2H

Weigh it out

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

Work with 3,4,5-Trifluoropyridine

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

1,2,3-Trifluorobenzene1489-53-845 % similar 1,2,3,5-Tetrafluorobenzene2367-82-043 % similar 4-Fluoroisoquinoline394-67-242 % similar 1,2,3,4-Tetrafluorobenzene551-62-242 % similar 3,5-Difluoropyridine-4-carboxylic acid903522-29-241 % similar Pentafluorobenzene363-72-440 % similar 5-Bromo-1,2,3-trifluorobenzene138526-69-939 % similar 3,4,5-Trifluorobenzenamine163733-96-839 % similar

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

Same formula

2,4,6-Trifluoropyridine3512-17-2 2,3,6-Trifluoropyridine3512-18-3 2,3,5-Trifluoropyridine76469-41-5

Elsewhere

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