2-(2,2,2-Trifluoroethoxy)pyridine-3-carbonitrile

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

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

3 names

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

Work with 2-(2,2,2-Trifluoroethoxy)pyridine-3-carbonitrile

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 2,6-Bis(2,2,2-trifluoroethoxy)benzonitrile93624-57-849 % similar Pyridine-2,3-dicarbonitrile17132-78-449 % similar 2-Methylpyridine-3-carbonitrile1721-23-946 % 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

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Amino-3-(trifluoromethoxy)benzonitrile175278-23-6 6-Methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile654-49-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook