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

C18H10ClFN2O — CID 156597675

IUPAC4-(3-chlorophenyl)-6-(3-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2cccc(Cl)c2)cc(-c2cccc(F)c2)[nH]c1=O
InChIInChI=1S/C18H10ClFN2O/c19-13-5-1-3-11(7-13)15-9-17(22-18(23)16(15)10-21)12-4-2-6-14(20)8-12/h1-9H,(H,22,23)
InChIKeyZNOUUCWYEGXOOA-UHFFFAOYSA-N
MW324.74 g/mol
LogP4.37
Rot. Bonds2

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

4-(3-chlorophenyl)-6-(3-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 156597675) has the molecular formula C18H10ClFN2O and a molecular weight of 324.74 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-6-(3-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(3-chlorophenyl)-6-(3-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID156597675
Molecular FormulaC18H10ClFN2O
Molecular Weight324.74 g/mol
Exact Mass324.05
IUPAC Name4-(3-chlorophenyl)-6-(3-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2cccc(Cl)c2)cc(-c2cccc(F)c2)[nH]c1=O
InChIInChI=1S/C18H10ClFN2O/c19-13-5-1-3-11(7-13)15-9-17(22-18(23)16(15)10-21)12-4-2-6-14(20)8-12/h1-9H,(H,22,23)
InChIKeyZNOUUCWYEGXOOA-UHFFFAOYSA-N
XLogP4.37
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.74
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-6-(3-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-(3-chlorophenyl)-6-(3-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile (CID 156597675) is 4-(3-chlorophenyl)-6-(3-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(3-chlorophenyl)-6-(3-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(3-chlorophenyl)-6-(3-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile is N#Cc1c(-c2cccc(Cl)c2)cc(-c2cccc(F)c2)[nH]c1=O.
What is the InChIKey of 4-(3-chlorophenyl)-6-(3-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is ZNOUUCWYEGXOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClFN2O/c19-13-5-1-3-11(7-13)15-9-17(22-18(23)16(15)10-21)12-4-2-6-14(20)8-12/h1-9H,(H,22,23).
What are the key properties of 4-(3-chlorophenyl)-6-(3-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile?
4-(3-chlorophenyl)-6-(3-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 324.74 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-6-(3-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 156597675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).