2-(2-fluorophenoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile

C13H6F4N2O — CID 79869560

IUPAC2-(2-fluorophenoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1Oc1ccccc1F
InChIInChI=1S/C13H6F4N2O/c14-9-3-1-2-4-10(9)20-12-8(7-18)5-6-11(19-12)13(15,16)17/h1-6H
InChIKeyWTEFQXIRRGRYKA-UHFFFAOYSA-N
MW282.20 g/mol
LogP3.90
Rot. Bonds2

About 2-(2-fluorophenoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile

2-(2-fluorophenoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 79869560) has the molecular formula C13H6F4N2O and a molecular weight of 282.20 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID79869560
Molecular FormulaC13H6F4N2O
Molecular Weight282.20 g/mol
Exact Mass282.04
IUPAC Name2-(2-fluorophenoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1Oc1ccccc1F
InChIInChI=1S/C13H6F4N2O/c14-9-3-1-2-4-10(9)20-12-8(7-18)5-6-11(19-12)13(15,16)17/h1-6H
InChIKeyWTEFQXIRRGRYKA-UHFFFAOYSA-N
XLogP3.90
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.20
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(2-fluorophenoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 79869560) is 2-(2-fluorophenoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(2-fluorophenoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(2-fluorophenoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1ccc(C(F)(F)F)nc1Oc1ccccc1F.
What is the InChIKey of 2-(2-fluorophenoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is WTEFQXIRRGRYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F4N2O/c14-9-3-1-2-4-10(9)20-12-8(7-18)5-6-11(19-12)13(15,16)17/h1-6H.
What are the key properties of 2-(2-fluorophenoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-(2-fluorophenoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 282.20 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 79869560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).