4-(3-fluorophenyl)-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carbonitrile

C17H10FN3O — CID 162395140

IUPAC4-(3-fluorophenyl)-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2cccc(F)c2)cc(-c2ccccn2)[nH]c1=O
InChIInChI=1S/C17H10FN3O/c18-12-5-3-4-11(8-12)13-9-16(15-6-1-2-7-20-15)21-17(22)14(13)10-19/h1-9H,(H,21,22)
InChIKeyPUSPFYXRGSNDMI-UHFFFAOYSA-N
MW291.29 g/mol
LogP3.11
Rot. Bonds2

About 4-(3-fluorophenyl)-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carbonitrile

4-(3-fluorophenyl)-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carbonitrile (PubChem CID 162395140) has the molecular formula C17H10FN3O and a molecular weight of 291.29 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(3-fluorophenyl)-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carbonitrile
PubChem CID162395140
Molecular FormulaC17H10FN3O
Molecular Weight291.29 g/mol
Exact Mass291.08
IUPAC Name4-(3-fluorophenyl)-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2cccc(F)c2)cc(-c2ccccn2)[nH]c1=O
InChIInChI=1S/C17H10FN3O/c18-12-5-3-4-11(8-12)13-9-16(15-6-1-2-7-20-15)21-17(22)14(13)10-19/h1-9H,(H,21,22)
InChIKeyPUSPFYXRGSNDMI-UHFFFAOYSA-N
XLogP3.11
TPSA69.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.29
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3-fluorophenyl)-2-oxo-6-pyridin-2-yl-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 4-(3-fluorophenyl)-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-(3-fluorophenyl)-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carbonitrile (CID 162395140) is 4-(3-fluorophenyl)-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(3-fluorophenyl)-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(3-fluorophenyl)-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carbonitrile is N#Cc1c(-c2cccc(F)c2)cc(-c2ccccn2)[nH]c1=O.
What is the InChIKey of 4-(3-fluorophenyl)-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carbonitrile?
The InChIKey is PUSPFYXRGSNDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10FN3O/c18-12-5-3-4-11(8-12)13-9-16(15-6-1-2-7-20-15)21-17(22)14(13)10-19/h1-9H,(H,21,22).
What are the key properties of 4-(3-fluorophenyl)-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carbonitrile?
4-(3-fluorophenyl)-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carbonitrile has a molecular weight of 291.29 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 162395140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).