5-(4-chlorophenyl)-1-[(2,6-dichlorophenyl)methyl]-2-oxopyridine-3-carbonitrile

C19H11Cl3N2O — CID 3768930

IUPAC5-(4-chlorophenyl)-1-[(2,6-dichlorophenyl)methyl]-2-oxopyridine-3-carbonitrile
SMILESN#Cc1cc(-c2ccc(Cl)cc2)cn(Cc2c(Cl)cccc2Cl)c1=O
InChIInChI=1S/C19H11Cl3N2O/c20-15-6-4-12(5-7-15)14-8-13(9-23)19(25)24(10-14)11-16-17(21)2-1-3-18(16)22/h1-8,10H,11H2
InChIKeyVFOSRFDVESBRRM-UHFFFAOYSA-N
MW389.67 g/mol
LogP5.40
Rot. Bonds3

About 5-(4-chlorophenyl)-1-[(2,6-dichlorophenyl)methyl]-2-oxopyridine-3-carbonitrile

5-(4-chlorophenyl)-1-[(2,6-dichlorophenyl)methyl]-2-oxopyridine-3-carbonitrile (PubChem CID 3768930) has the molecular formula C19H11Cl3N2O and a molecular weight of 389.67 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-[(2,6-dichlorophenyl)methyl]-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-[(2,6-dichlorophenyl)methyl]-2-oxopyridine-3-carbonitrile
PubChem CID3768930
Molecular FormulaC19H11Cl3N2O
Molecular Weight389.67 g/mol
Exact Mass387.99
IUPAC Name5-(4-chlorophenyl)-1-[(2,6-dichlorophenyl)methyl]-2-oxopyridine-3-carbonitrile
SMILESN#Cc1cc(-c2ccc(Cl)cc2)cn(Cc2c(Cl)cccc2Cl)c1=O
InChIInChI=1S/C19H11Cl3N2O/c20-15-6-4-12(5-7-15)14-8-13(9-23)19(25)24(10-14)11-16-17(21)2-1-3-18(16)22/h1-8,10H,11H2
InChIKeyVFOSRFDVESBRRM-UHFFFAOYSA-N
XLogP5.40
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.67
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-[(2,6-dichlorophenyl)methyl]-2-oxopyridine-3-carbonitrile?
The IUPAC name of 5-(4-chlorophenyl)-1-[(2,6-dichlorophenyl)methyl]-2-oxopyridine-3-carbonitrile (CID 3768930) is 5-(4-chlorophenyl)-1-[(2,6-dichlorophenyl)methyl]-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 5-(4-chlorophenyl)-1-[(2,6-dichlorophenyl)methyl]-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 5-(4-chlorophenyl)-1-[(2,6-dichlorophenyl)methyl]-2-oxopyridine-3-carbonitrile is N#Cc1cc(-c2ccc(Cl)cc2)cn(Cc2c(Cl)cccc2Cl)c1=O.
What is the InChIKey of 5-(4-chlorophenyl)-1-[(2,6-dichlorophenyl)methyl]-2-oxopyridine-3-carbonitrile?
The InChIKey is VFOSRFDVESBRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl3N2O/c20-15-6-4-12(5-7-15)14-8-13(9-23)19(25)24(10-14)11-16-17(21)2-1-3-18(16)22/h1-8,10H,11H2.
What are the key properties of 5-(4-chlorophenyl)-1-[(2,6-dichlorophenyl)methyl]-2-oxopyridine-3-carbonitrile?
5-(4-chlorophenyl)-1-[(2,6-dichlorophenyl)methyl]-2-oxopyridine-3-carbonitrile has a molecular weight of 389.67 g/mol, XLogP of 5.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-[(2,6-dichlorophenyl)methyl]-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 3768930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).