CAS 175277-01-7|4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzonitrile|4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzonitrile|4-{[5-(Trifluoromethyl)-2-pyridinyl] oxy}benzenecarbonitrile|4-{[5-(trifluor...

General Information

Structure

Molecular Formula

C₁₃H₇F₃N₂O

Molecular Mass

264.2026896

Exact Mass

264.05104751

Charge

InChI

InChI=1S/C13H7F3N2O/c14-13(15,16)10-3-6-12(18-8-10)19-11-4-1-9(7-17)2-5-11/h1-6,8H

InChIKey

IPRJCIVGKWLASQ-UHFFFAOYSA-N

Canonic Smiles

N#Cc1ccc(cc1)Oc1ccc(cn1)C(F)(F)F

Isomeric Smiles

c1(cnc(Oc2ccc(cc2)C#N)cc1)C(F)(F)F

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.5842545

LogD (pH = 7.4)

3.5842626

Log P

3.5842628

Molar Refractivity

62.1507

Polarizability

22.716415

Polar Surface Area

45.91

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzonitrile

IUPAC Traditional name

4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzonitrile

Synonyms

4-{[5-(Trifluoromethyl)-2-pyridinyl] oxy}benzenecarbonitrile4-{[5-(trifluoromethyl)-2-pyridinyl]oxy}benzenecarbonitrile4-{[5-(Trifluoromethyl)pyridin-2-yl]oxy}benzonitrile 97%2-(4-Cyanophenoxy)-5-(trifluoromethyl)pyridine4-((5-(TrifluoroMethyl)pyridin-2-yl)oxy)benzonitrile

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem CID

PubChem SID

Registration numbers