4,4'-Bis(trifluoromethyl)-2,2'-bipyridine

C₁₂H₆F₆N₂CAS 142946-79-0292.18 g/mol

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Properties

Molecular formula: C₁₂H₆F₆N₂
Molar mass: 292.18 g/mol
Exact mass: 292.0435 Da
logP: 4.18Crippen estimate
Polar surface area: 25.8 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

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

142946-79-0

SMILES

C1=CN=C(C=C1C(F)(F)F)C2=NC=CC(=C2)C(F)(F)F

InChIKey

FFOMEQIMPYKURW-UHFFFAOYSA-N

InChI

InChI=1S/C12H6F6N2/c13-11(14,15)7-1-3-19-9(5-7)10-6-8(2-4-20-10)12(16,17)18/h1-6H

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Names and synonyms

1 names

2,2'-Bipyridine, 4,4'-bis(trifluoromethyl)-

Work with 4,4'-Bis(trifluoromethyl)-2,2'-bipyridine

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-Fluoro-4-(trifluoromethyl)pyridine118078-66-363 % similar 2-Amino-4-(trifluoromethyl)pyridine106447-97-661 % similar 2-Bromo-4-(trifluoromethyl)pyridine175205-81-961 % similar 4-(Trifluoromethyl)-2(1H)-pyridinone50650-59-461 % similar 2-Chloro-4-(trifluoromethyl)pyridine81565-18-661 % similar 4,4'-Di-tert-butyl-2,2'-bipyridine72914-19-356 % similar 4-(Trifluoromethyl)pyridine3796-24-552 % similar 4-(Trifluoromethyl)pyridine-2-carboxylic acid588702-62-950 % similar

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

Elsewhere

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