2-oxo-6-phenyl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile

C13H7F3N2O — CID 2726227

IUPAC2-oxo-6-phenyl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C13H7F3N2O/c14-13(15,16)10-6-11(8-4-2-1-3-5-8)18-12(19)9(10)7-17/h1-6H,(H,18,19)
InChIKeyOOVASHBTYQTRFA-UHFFFAOYSA-N
MW264.21 g/mol
LogP2.93
Rot. Bonds1

About 2-oxo-6-phenyl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile

2-oxo-6-phenyl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile (PubChem CID 2726227) has the molecular formula C13H7F3N2O and a molecular weight of 264.21 g/mol. Its IUPAC name is 2-oxo-6-phenyl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-oxo-6-phenyl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
PubChem CID2726227
Molecular FormulaC13H7F3N2O
Molecular Weight264.21 g/mol
Exact Mass264.05
IUPAC Name2-oxo-6-phenyl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C13H7F3N2O/c14-13(15,16)10-6-11(8-4-2-1-3-5-8)18-12(19)9(10)7-17/h1-6H,(H,18,19)
InChIKeyOOVASHBTYQTRFA-UHFFFAOYSA-N
XLogP2.93
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-oxo-6-phenyl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-oxo-6-phenyl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
The IUPAC name of 2-oxo-6-phenyl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile (CID 2726227) is 2-oxo-6-phenyl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 2-oxo-6-phenyl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
The canonical SMILES for 2-oxo-6-phenyl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile is N#Cc1c(C(F)(F)F)cc(-c2ccccc2)[nH]c1=O.
What is the InChIKey of 2-oxo-6-phenyl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
The InChIKey is OOVASHBTYQTRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3N2O/c14-13(15,16)10-6-11(8-4-2-1-3-5-8)18-12(19)9(10)7-17/h1-6H,(H,18,19).
What are the key properties of 2-oxo-6-phenyl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
2-oxo-6-phenyl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile has a molecular weight of 264.21 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-6-phenyl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 2726227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).