2-(3-phenylphenoxy)-6-(trifluoromethyl)pyridine-4-carbonitrile

C19H11F3N2O — CID 122517057

IUPAC2-(3-phenylphenoxy)-6-(trifluoromethyl)pyridine-4-carbonitrile
SMILESN#Cc1cc(Oc2cccc(-c3ccccc3)c2)nc(C(F)(F)F)c1
InChIInChI=1S/C19H11F3N2O/c20-19(21,22)17-9-13(12-23)10-18(24-17)25-16-8-4-7-15(11-16)14-5-2-1-3-6-14/h1-11H
InChIKeyVREDNEOLKGPKNL-UHFFFAOYSA-N
MW340.30 g/mol
LogP5.43
Rot. Bonds3

About 2-(3-phenylphenoxy)-6-(trifluoromethyl)pyridine-4-carbonitrile

2-(3-phenylphenoxy)-6-(trifluoromethyl)pyridine-4-carbonitrile (PubChem CID 122517057) has the molecular formula C19H11F3N2O and a molecular weight of 340.30 g/mol. Its IUPAC name is 2-(3-phenylphenoxy)-6-(trifluoromethyl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(3-phenylphenoxy)-6-(trifluoromethyl)pyridine-4-carbonitrile
PubChem CID122517057
Molecular FormulaC19H11F3N2O
Molecular Weight340.30 g/mol
Exact Mass340.08
IUPAC Name2-(3-phenylphenoxy)-6-(trifluoromethyl)pyridine-4-carbonitrile
SMILESN#Cc1cc(Oc2cccc(-c3ccccc3)c2)nc(C(F)(F)F)c1
InChIInChI=1S/C19H11F3N2O/c20-19(21,22)17-9-13(12-23)10-18(24-17)25-16-8-4-7-15(11-16)14-5-2-1-3-6-14/h1-11H
InChIKeyVREDNEOLKGPKNL-UHFFFAOYSA-N
XLogP5.43
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.30
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylphenoxy)-6-(trifluoromethyl)pyridine-4-carbonitrile?
The IUPAC name of 2-(3-phenylphenoxy)-6-(trifluoromethyl)pyridine-4-carbonitrile (CID 122517057) is 2-(3-phenylphenoxy)-6-(trifluoromethyl)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(3-phenylphenoxy)-6-(trifluoromethyl)pyridine-4-carbonitrile?
The canonical SMILES for 2-(3-phenylphenoxy)-6-(trifluoromethyl)pyridine-4-carbonitrile is N#Cc1cc(Oc2cccc(-c3ccccc3)c2)nc(C(F)(F)F)c1.
What is the InChIKey of 2-(3-phenylphenoxy)-6-(trifluoromethyl)pyridine-4-carbonitrile?
The InChIKey is VREDNEOLKGPKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F3N2O/c20-19(21,22)17-9-13(12-23)10-18(24-17)25-16-8-4-7-15(11-16)14-5-2-1-3-6-14/h1-11H.
What are the key properties of 2-(3-phenylphenoxy)-6-(trifluoromethyl)pyridine-4-carbonitrile?
2-(3-phenylphenoxy)-6-(trifluoromethyl)pyridine-4-carbonitrile has a molecular weight of 340.30 g/mol, XLogP of 5.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylphenoxy)-6-(trifluoromethyl)pyridine-4-carbonitrile is sourced from PubChem (CID 122517057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).