5-Cyano-2-(trifluoromethyl)pyridine

C₇H₃F₃N₂CAS 216431-85-5172.11 g/mol

Open in Covalent MOL file

Alkyl halide Nitrile

Properties

Molecular formula: C₇H₃F₃N₂
Molar mass: 172.11 g/mol
Exact mass: 172.0248 Da
logP: 1.97Crippen estimate
Polar surface area: 36.7 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Identifiers

CAS number

216431-85-5

SMILES

C1=CC(=NC=C1C#N)C(F)(F)F

InChIKey

ZBLULFJVRGVQAW-UHFFFAOYSA-N

InChI

InChI=1S/C7H3F3N2/c8-7(9,10)6-2-1-5(3-11)4-12-6/h1-2,4H

Weigh it out

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

Names and synonyms

1 names

6-(Trifluoromethyl)nicotinonitrile

Work with 5-Cyano-2-(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

[2,2′-Bipyridine]-5,5′-dicarbonitrile1802-29-553 % similar 2-Fluoropyridine-5-carbonitrile3939-12-653 % similar 4-(Trifluoromethyl)benzonitrile455-18-552 % similar 6-(Trifluoromethyl)pyridine-3-methanol386704-04-749 % similar 5-Amino-2-(trifluoromethyl)pyridine106877-33-248 % similar 2-Bromo-5-cyanopyridine139585-70-948 % similar 6-(Trifluoromethyl)-3-pyridinol216766-12-048 % similar 5-Cyano-2-methylpyridine3222-48-848 % similar

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

Same formula

4-(Trifluoromethyl)-3-pyridinecarbonitrile13600-43-6

Elsewhere

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