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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Related Compounds

2-[3-(2-oxo-1-pyridinyl)phenoxy]-6-(trifluoromethyl)pyridine-4-carbonitrile
CID 122536350
2-chloro-6-[3-(trifluoromethyl)phenoxy]pyridine-4-carbonitrile
CID 83072753
3-[2-propan-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile
CID 130395939
2-[3-[(3S,4R)-3-hydroxy-4-methylpyrrolidine-1-carbonyl]phenoxy]-6-(trifluoromethyl)pyridine-4-carbonitrile
CID 134343300
2-[3-(3-hydroxypyrrolidine-1-carbonyl)phenoxy]-6-(trifluoromethyl)pyridine-4-carbonitrile
CID 134343218
2-(1H-indol-4-yloxy)-6-(trifluoromethyl)pyridine-4-carbonitrile
CID 122517006
methyl 3-[[4-cyano-6-(trifluoromethyl)-2-pyridinyl]oxy]-5-hydroxybenzoate
CID 122517018
3-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]oxy]benzonitrile
CID 102715183
3-[(4-cyano-6-methyl-2-pyridinyl)oxy]benzoic acid
CID 114770378
1-phenoxy-3-[4-(trifluoromethyl)phenyl]benzene
CID 91805474
3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 122516902
2-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenoxy]phenyl]phenyl]-4,6-diphenylpyrimidine;2-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenoxy]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 157416880

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).