4-(Trifluoromethyl)-3-pyridinecarbonitrile

C₇H₃F₃N₂CAS 13600-43-6172.11 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
Boiling point: 70 °C
logP: 1.97Crippen estimate
Polar surface area: 36.7 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Identifiers

CAS number

13600-43-6

SMILES

N#Cc1cnccc1C(F)(F)F

InChIKey

DHIRCRHQLUNYDS-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

4 names

3-Pyridinecarbonitrile, 4-(trifluoromethyl)-
Nicotinonitrile, 4-(trifluoromethyl)-
3-Cyano-4-(trifluoromethyl)pyridine
4-(Trifluoromethyl)nicotinonitrile

Work with 4-(Trifluoromethyl)-3-pyridinecarbonitrile

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-(Trifluoromethyl)benzonitrile447-60-958 % similar 3-Fluoro-4-(trifluoromethyl)pyridine113770-87-952 % similar 3-Fluoro-4-pyridinecarbonitrile113770-88-050 % similar 4-Bromo-3-pyridinecarbonitrile154237-70-450 % similar 3-Amino-4-trifluoromethylpyridine175204-80-550 % similar 5-Fluoro-2-(trifluoromethyl)benzonitrile240800-45-750 % similar 4-Methyl-3-pyridinecarbonitrile5444-01-950 % similar 3-Chloro-4-(trifluoromethyl)pyridine81565-19-750 % similar

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

Elsewhere

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