1-[(2,6-dichlorophenyl)methyl]-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile

C19H11Cl2FN2O — CID 2765210

IUPAC1-[(2,6-dichlorophenyl)methyl]-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2ccc(F)cc2)n(Cc2c(Cl)cccc2Cl)c1=O
InChIInChI=1S/C19H11Cl2FN2O/c20-16-2-1-3-17(21)15(16)11-24-18(9-6-13(10-23)19(24)25)12-4-7-14(22)8-5-12/h1-9H,11H2
InChIKeyPIFQJSFHOLFMMB-UHFFFAOYSA-N
MW373.21 g/mol
LogP4.88
Rot. Bonds3

About 1-[(2,6-dichlorophenyl)methyl]-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile

1-[(2,6-dichlorophenyl)methyl]-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile (PubChem CID 2765210) has the molecular formula C19H11Cl2FN2O and a molecular weight of 373.21 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)methyl]-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[(2,6-dichlorophenyl)methyl]-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile
PubChem CID2765210
Molecular FormulaC19H11Cl2FN2O
Molecular Weight373.21 g/mol
Exact Mass372.02
IUPAC Name1-[(2,6-dichlorophenyl)methyl]-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2ccc(F)cc2)n(Cc2c(Cl)cccc2Cl)c1=O
InChIInChI=1S/C19H11Cl2FN2O/c20-16-2-1-3-17(21)15(16)11-24-18(9-6-13(10-23)19(24)25)12-4-7-14(22)8-5-12/h1-9H,11H2
InChIKeyPIFQJSFHOLFMMB-UHFFFAOYSA-N
XLogP4.88
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.21
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(2,6-dichlorophenyl)methyl]-6-(4-fluorophenyl)-2-oxopyridine-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 1-[(2,6-dichlorophenyl)methyl]-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile (CID 2765210) is 1-[(2,6-dichlorophenyl)methyl]-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-[(2,6-dichlorophenyl)methyl]-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-[(2,6-dichlorophenyl)methyl]-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile is N#Cc1ccc(-c2ccc(F)cc2)n(Cc2c(Cl)cccc2Cl)c1=O.
What is the InChIKey of 1-[(2,6-dichlorophenyl)methyl]-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile?
The InChIKey is PIFQJSFHOLFMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl2FN2O/c20-16-2-1-3-17(21)15(16)11-24-18(9-6-13(10-23)19(24)25)12-4-7-14(22)8-5-12/h1-9H,11H2.
What are the key properties of 1-[(2,6-dichlorophenyl)methyl]-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile?
1-[(2,6-dichlorophenyl)methyl]-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile has a molecular weight of 373.21 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenyl)methyl]-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 2765210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).