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

C18H11ClN2O — CID 19656382

IUPAC4-(3-chlorophenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2cccc(Cl)c2)cc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C18H11ClN2O/c19-14-8-4-7-13(9-14)15-10-17(12-5-2-1-3-6-12)21-18(22)16(15)11-20/h1-10H,(H,21,22)
InChIKeyNLKCYWUBGLXXLT-UHFFFAOYSA-N
MW306.75 g/mol
LogP4.23
Rot. Bonds2

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

4-(3-chlorophenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile (PubChem CID 19656382) has the molecular formula C18H11ClN2O and a molecular weight of 306.75 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(3-chlorophenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile
PubChem CID19656382
Molecular FormulaC18H11ClN2O
Molecular Weight306.75 g/mol
Exact Mass306.06
IUPAC Name4-(3-chlorophenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2cccc(Cl)c2)cc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C18H11ClN2O/c19-14-8-4-7-13(9-14)15-10-17(12-5-2-1-3-6-12)21-18(22)16(15)11-20/h1-10H,(H,21,22)
InChIKeyNLKCYWUBGLXXLT-UHFFFAOYSA-N
XLogP4.23
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-(3-chlorophenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile (CID 19656382) is 4-(3-chlorophenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(3-chlorophenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(3-chlorophenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile is N#Cc1c(-c2cccc(Cl)c2)cc(-c2ccccc2)[nH]c1=O.
What is the InChIKey of 4-(3-chlorophenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile?
The InChIKey is NLKCYWUBGLXXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN2O/c19-14-8-4-7-13(9-14)15-10-17(12-5-2-1-3-6-12)21-18(22)16(15)11-20/h1-10H,(H,21,22).
What are the key properties of 4-(3-chlorophenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile?
4-(3-chlorophenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile has a molecular weight of 306.75 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 19656382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).