chempirical

2,6-Bis(trifluoromethyl)pyridine

C7H3F6NCAS 455-00-5215.10 g/mol

Open in Covalent MOL file
NFFFFFF
Alkyl halide

Properties

Molecular formula
C7H3F6N
Molar mass
215.10 g/mol
Exact mass
215.0170 Da
logP
3.12Crippen estimate
Polar surface area
12.9 Ų
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
455-00-5
SMILES
C1=CC(=NC(=C1)C(F)(F)F)C(F)(F)F
InChIKey
YPDVFTXBESQIPJ-UHFFFAOYSA-N
InChI
InChI=1S/C7H3F6N/c8-6(9,10)4-2-1-3-5(14-4)7(11,12)13/h1-3H

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Work with 2,6-Bis(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

2-Chloro-6-(trifluoromethyl)pyridine39890-95-470 % similar 2-Fluoro-6-(trifluoromethyl)pyridine94239-04-070 % similar 2-Bromo-6-(trifluoromethyl)pyridine189278-27-167 % similar 2-Amino-6-(trifluoromethyl)pyridine34486-24-367 % similar 2-(Trifluoromethyl)pyridine368-48-954 % similar 2-Chloro-4-(trifluoromethyl)pyrimidine33034-67-254 % similar 6-Trifluoromethyl-2-pyridinecarboxylic acid131747-42-753 % similar 2-(Trifluoromethyl)quinoline347-42-252 % similar

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

Same formula

2,3-Bis(trifluoromethyl)pyridine1644-68-4 3,5-Bis(trifluoromethyl)pyridine20857-47-0

Elsewhere

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