2,3,5-Trifluoropyridine

C5H2F3NCAS 76469-41-5133.07 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

Warning
Flammable (GHS02)Irritant (GHS07)

Aggregated from 8 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, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
76469-41-5
SMILES
C1=C(C=NC(=C1F)F)F
InChIKey
JKVOXNTXYMXDHN-UHFFFAOYSA-N
InChI
InChI=1S/C5H2F3N/c6-3-1-4(7)5(8)9-2-3/h1-2H

Weigh it out

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

Work with 2,3,5-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

2-Bromo-3,5-difluoropyridine660425-16-156 % similar 3,5-Difluoropyridin-2-amine732306-31-956 % similar 3-Chloro-2,5-difluoropyridine851179-00-556 % similar 5-Chloro-2,3-difluoropyridine89402-43-756 % similar 5-Bromo-2,3-difluoropyridine89402-44-856 % similar 2,3-Difluoro-5-(trifluoromethyl)pyridine89402-42-654 % similar 2-Cyano-3,5-difluoropyridine298709-29-250 % similar 2,3,5,6-Tetrafluoropyridine2875-18-546 % 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 3,4,5-Trifluoropyridine67815-54-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook