2-(2,2,2-Trifluoroethoxy)-3-pyridinecarbonitrile

C₈H₅F₃N₂OCAS 175277-89-1202.14 g/mol

Open in Covalent MOL file

Alkyl halide Ether Nitrile

Properties

Molecular formula: C₈H₅F₃N₂O
Molar mass: 202.14 g/mol
Exact mass: 202.0354 Da
logP: 1.89Crippen estimate
Polar surface area: 45.9 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Identifiers

CAS number

175277-89-1

SMILES

N#Cc1cccnc1OCC(F)(F)F

InChIKey

ZTQQMHFXDKEKHR-UHFFFAOYSA-N

InChI

InChI=1S/C8H5F3N2O/c9-8(10,11)5-14-7-6(4-12)2-1-3-13-7/h1-3H,5H2

Weigh it out

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

Names and synonyms

2 names

3-Pyridinecarbonitrile, 2-(2,2,2-trifluoroethoxy)-
2-(2,2,2-Trifluoroethoxy)nicotinonitrile

Work with 2-(2,2,2-Trifluoroethoxy)-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Methoxy-3-pyridinecarbonitrile7254-34-454 % similar 2-Phenoxy-3-pyridinecarbonitrile14178-15-553 % similar 2-Fluoro-3-pyridinecarbonitrile3939-13-746 % similar 2-Fluoro-6-(2,2,2-trifluoroethoxy)benzonitrile119584-74-643 % similar 2-Ethoxy-6-(2,2,2-trifluoroethoxy)benzonitrile175204-04-343 % similar 3-Cyano-2-pyridone20577-27-943 % similar 2-Chloro-3-cyanopyridine6602-54-643 % similar 2-(Trifluoromethoxy)benzonitrile63968-85-438 % similar

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

Same formula

4-Amino-3-(trifluoromethoxy)benzonitrile175278-23-6

Elsewhere

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