chempirical

3,5-Bis(trifluoromethyl)pyridine

C7H3F6NCAS 20857-47-0215.10 g/mol

Open in Covalent MOL file
FFFNFFF
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

Identifiers

CAS number
20857-47-0
SMILES
FC(F)(F)c1cncc(C(F)(F)F)c1
InChIKey
RQEOYYWUVYZZLL-UHFFFAOYSA-N
InChI
InChI=1S/C7H3F6N/c8-6(9,10)4-1-5(3-14-2-4)7(11,12)13/h1-3H

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

Names and synonyms

1 names
  • Pyridine, 3,5-bis(trifluoromethyl)-

Work with 3,5-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

5-(Trifluoromethyl)pyridin-3-amine112110-07-367 % similar 3-Bromo-5-(trifluoromethyl)pyridine436799-33-667 % similar 5-(Trifluoromethyl)nicotinic acid131747-40-553 % similar 3-(Trifluoromethyl)pyridine3796-23-452 % similar 3-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)pyridine1084953-47-850 % similar 3,5-Bis(trifluoromethyl)benzene402-31-350 % similar 2,3-Difluoro-5-(trifluoromethyl)pyridine89402-42-648 % similar 4-(Trifluoromethyl)pyridine3796-24-548 % similar

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

Elsewhere

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