2,3-Difluoro-5-(trifluoromethyl)pyridine

C6H2F5NCAS 89402-42-6183.08 g/mol

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Alkyl halideAryl halide

Properties

Molecular formula
C6H2F5N
Molar mass
183.08 g/mol
Exact mass
183.0107 Da
logP
2.38Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Danger
Flammable (GHS02)Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 47 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+P316, 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
89402-42-6
SMILES
Fc1cc(C(F)(F)F)cnc1F
InChIKey
XIFCGIKPAAZFFS-UHFFFAOYSA-N
InChI
InChI=1S/C6H2F5N/c7-4-1-3(6(9,10)11)2-12-5(4)8/h1-2H

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Names and synonyms

1 names
  • Pyridine, 2,3-difluoro-5-(trifluoromethyl)-

Work with 2,3-Difluoro-5-(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

3-Bromo-2-fluoro-5-(trifluoromethyl)pyridine1031929-01-763 % similar 3-Chloro-2-fluoro-5-(trifluoromethyl)pyridine72537-17-863 % similar 2-Chloro-3-fluoro-5-(trifluoromethyl)pyridine72600-67-063 % similar 2-Bromo-3-fluoro-5-(trifluoromethyl)pyridine89402-29-963 % similar 2,3,5-Trifluoropyridine76469-41-554 % similar 3,4,5-Trifluorobenzotrifluoride80172-04-950 % similar 5-Chloro-2,3-difluoropyridine89402-43-750 % similar 5-Bromo-2,3-difluoropyridine89402-44-850 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Pentafluoroaniline771-60-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook