3-[6-(4-fluorophenyl)-3-oxo-4,5-dihydro-2H-pyridin-5-yl]benzonitrile

C18H13FN2O — CID 123964927

IUPAC3-[6-(4-fluorophenyl)-3-oxo-4,5-dihydro-2H-pyridin-5-yl]benzonitrile
SMILESN#Cc1cccc(C2CC(=O)CN=C2c2ccc(F)cc2)c1
InChIInChI=1S/C18H13FN2O/c19-15-6-4-13(5-7-15)18-17(9-16(22)11-21-18)14-3-1-2-12(8-14)10-20/h1-8,17H,9,11H2
InChIKeyOIAPINGTQAMUSM-UHFFFAOYSA-N
MW292.31 g/mol
LogP3.24
Rot. Bonds2

About 3-[6-(4-fluorophenyl)-3-oxo-4,5-dihydro-2H-pyridin-5-yl]benzonitrile

3-[6-(4-fluorophenyl)-3-oxo-4,5-dihydro-2H-pyridin-5-yl]benzonitrile (PubChem CID 123964927) has the molecular formula C18H13FN2O and a molecular weight of 292.31 g/mol. Its IUPAC name is 3-[6-(4-fluorophenyl)-3-oxo-4,5-dihydro-2H-pyridin-5-yl]benzonitrile.

Molecular Properties

Compound Name3-[6-(4-fluorophenyl)-3-oxo-4,5-dihydro-2H-pyridin-5-yl]benzonitrile
PubChem CID123964927
Molecular FormulaC18H13FN2O
Molecular Weight292.31 g/mol
Exact Mass292.10
IUPAC Name3-[6-(4-fluorophenyl)-3-oxo-4,5-dihydro-2H-pyridin-5-yl]benzonitrile
SMILESN#Cc1cccc(C2CC(=O)CN=C2c2ccc(F)cc2)c1
InChIInChI=1S/C18H13FN2O/c19-15-6-4-13(5-7-15)18-17(9-16(22)11-21-18)14-3-1-2-12(8-14)10-20/h1-8,17H,9,11H2
InChIKeyOIAPINGTQAMUSM-UHFFFAOYSA-N
XLogP3.24
TPSA53.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[6-(4-fluorophenyl)-3-oxo-4,5-dihydro-2H-pyridin-5-yl]benzonitrile 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 3-[6-(4-fluorophenyl)-3-oxo-4,5-dihydro-2H-pyridin-5-yl]benzonitrile?
The IUPAC name of 3-[6-(4-fluorophenyl)-3-oxo-4,5-dihydro-2H-pyridin-5-yl]benzonitrile (CID 123964927) is 3-[6-(4-fluorophenyl)-3-oxo-4,5-dihydro-2H-pyridin-5-yl]benzonitrile.
What is the SMILES notation for 3-[6-(4-fluorophenyl)-3-oxo-4,5-dihydro-2H-pyridin-5-yl]benzonitrile?
The canonical SMILES for 3-[6-(4-fluorophenyl)-3-oxo-4,5-dihydro-2H-pyridin-5-yl]benzonitrile is N#Cc1cccc(C2CC(=O)CN=C2c2ccc(F)cc2)c1.
What is the InChIKey of 3-[6-(4-fluorophenyl)-3-oxo-4,5-dihydro-2H-pyridin-5-yl]benzonitrile?
The InChIKey is OIAPINGTQAMUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O/c19-15-6-4-13(5-7-15)18-17(9-16(22)11-21-18)14-3-1-2-12(8-14)10-20/h1-8,17H,9,11H2.
What are the key properties of 3-[6-(4-fluorophenyl)-3-oxo-4,5-dihydro-2H-pyridin-5-yl]benzonitrile?
3-[6-(4-fluorophenyl)-3-oxo-4,5-dihydro-2H-pyridin-5-yl]benzonitrile has a molecular weight of 292.31 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-fluorophenyl)-3-oxo-4,5-dihydro-2H-pyridin-5-yl]benzonitrile is sourced from PubChem (CID 123964927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).