2,3,6-Trifluoropyridine

C₅H₂F₃NCAS 3512-18-3133.07 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₂F₃N
Molar mass: 133.07 g/mol
Exact mass: 133.0139 Da
Melting point: 115–116 °C
Boiling point: 115–117 °C
logP: 1.50Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Danger

H226 Flammable liquid and vapor100% of notifiers
H314 Causes severe skin burns and eye damage12.5% of notifiers
H315 Causes skin irritation87.5% of notifiers
H319 Causes serious eye irritation87.5% of notifiers
H335 May cause respiratory irritation87.5% of notifiers

Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

3512-18-3

SMILES

Fc1ccc(F)c(F)n1

InChIKey

HRLIANGJWPJFKW-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

Pyridine, 2,3,6-trifluoro-

Work with 2,3,6-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Bromo-2,6-difluoropyridine80392-79-654 % similar 2,6-Difluoropyridine-3-boronic acid136466-94-950 % similar 2,6-Difluoronicotinaldehyde155601-65-348 % similar 2,3,4,6-Tetrafluoropyridine3512-13-848 % similar 2,3,5,6-Tetrafluoropyridine2875-18-548 % similar 2,6-Difluoropyridine1513-65-143 % similar 3,6-Difluoropyridazine33097-39-141 % similar 2,3-Difluoropyridine1513-66-241 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,4,6-Trifluoropyridine3512-17-2 3,4,5-Trifluoropyridine67815-54-7 2,3,5-Trifluoropyridine76469-41-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook