3,4,5-Trifluoropyridine

C5H2F3NCAS 67815-54-7133.07 g/mol

Open in Covalent MOL file
NFFF
Aryl halide

Properties

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

Hazards

Danger
Flammable (GHS02)Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

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

PubChem CAS Common Chemistry NIST WebBook