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

C13H7F3N2 — CID 46314749

IUPAC2-phenyl-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1-c1ccccc1
InChIInChI=1S/C13H7F3N2/c14-13(15,16)11-7-6-10(8-17)12(18-11)9-4-2-1-3-5-9/h1-7H
InChIKeyNCBJGTZOLLOWNU-UHFFFAOYSA-N
MW248.21 g/mol
LogP3.64
Rot. Bonds1

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

2-phenyl-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 46314749) has the molecular formula C13H7F3N2 and a molecular weight of 248.21 g/mol. Its IUPAC name is 2-phenyl-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-phenyl-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID46314749
Molecular FormulaC13H7F3N2
Molecular Weight248.21 g/mol
Exact Mass248.06
IUPAC Name2-phenyl-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1-c1ccccc1
InChIInChI=1S/C13H7F3N2/c14-13(15,16)11-7-6-10(8-17)12(18-11)9-4-2-1-3-5-9/h1-7H
InChIKeyNCBJGTZOLLOWNU-UHFFFAOYSA-N
XLogP3.64
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-phenyl-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 46314749) is 2-phenyl-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-phenyl-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-phenyl-6-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1ccc(C(F)(F)F)nc1-c1ccccc1.
What is the InChIKey of 2-phenyl-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is NCBJGTZOLLOWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3N2/c14-13(15,16)11-7-6-10(8-17)12(18-11)9-4-2-1-3-5-9/h1-7H.
What are the key properties of 2-phenyl-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-phenyl-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 248.21 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 46314749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).