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

C18H10Cl2N2O — CID 1488646

IUPAC4,6-bis(4-chlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)[nH]c1=O
InChIInChI=1S/C18H10Cl2N2O/c19-13-5-1-11(2-6-13)15-9-17(22-18(23)16(15)10-21)12-3-7-14(20)8-4-12/h1-9H,(H,22,23)
InChIKeyZAFATSGLGPFVPK-UHFFFAOYSA-N
MW341.20 g/mol
LogP4.89
Rot. Bonds2

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

4,6-bis(4-chlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 1488646) has the molecular formula C18H10Cl2N2O and a molecular weight of 341.20 g/mol. Its IUPAC name is 4,6-bis(4-chlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-bis(4-chlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID1488646
Molecular FormulaC18H10Cl2N2O
Molecular Weight341.20 g/mol
Exact Mass340.02
IUPAC Name4,6-bis(4-chlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)[nH]c1=O
InChIInChI=1S/C18H10Cl2N2O/c19-13-5-1-11(2-6-13)15-9-17(22-18(23)16(15)10-21)12-3-7-14(20)8-4-12/h1-9H,(H,22,23)
InChIKeyZAFATSGLGPFVPK-UHFFFAOYSA-N
XLogP4.89
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.20
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis(4-chlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4,6-bis(4-chlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile (CID 1488646) is 4,6-bis(4-chlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4,6-bis(4-chlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4,6-bis(4-chlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile is N#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)[nH]c1=O.
What is the InChIKey of 4,6-bis(4-chlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is ZAFATSGLGPFVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl2N2O/c19-13-5-1-11(2-6-13)15-9-17(22-18(23)16(15)10-21)12-3-7-14(20)8-4-12/h1-9H,(H,22,23).
What are the key properties of 4,6-bis(4-chlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile?
4,6-bis(4-chlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 341.20 g/mol, XLogP of 4.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(4-chlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 1488646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).