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

C18H10ClFN2O — CID 82639647

IUPAC6-(3-chlorophenyl)-4-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccc(F)cc2)cc(-c2cccc(Cl)c2)[nH]c1=O
InChIInChI=1S/C18H10ClFN2O/c19-13-3-1-2-12(8-13)17-9-15(16(10-21)18(23)22-17)11-4-6-14(20)7-5-11/h1-9H,(H,22,23)
InChIKeyZPNZWWMLMPNAJZ-UHFFFAOYSA-N
MW324.74 g/mol
LogP4.37
Rot. Bonds2

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

6-(3-chlorophenyl)-4-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 82639647) has the molecular formula C18H10ClFN2O and a molecular weight of 324.74 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-4-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(3-chlorophenyl)-4-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID82639647
Molecular FormulaC18H10ClFN2O
Molecular Weight324.74 g/mol
Exact Mass324.05
IUPAC Name6-(3-chlorophenyl)-4-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccc(F)cc2)cc(-c2cccc(Cl)c2)[nH]c1=O
InChIInChI=1S/C18H10ClFN2O/c19-13-3-1-2-12(8-13)17-9-15(16(10-21)18(23)22-17)11-4-6-14(20)7-5-11/h1-9H,(H,22,23)
InChIKeyZPNZWWMLMPNAJZ-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 6-(3-chlorophenyl)-4-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-(3-chlorophenyl)-4-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile (CID 82639647) is 6-(3-chlorophenyl)-4-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-(3-chlorophenyl)-4-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-(3-chlorophenyl)-4-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile is N#Cc1c(-c2ccc(F)cc2)cc(-c2cccc(Cl)c2)[nH]c1=O.
What is the InChIKey of 6-(3-chlorophenyl)-4-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is ZPNZWWMLMPNAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClFN2O/c19-13-3-1-2-12(8-13)17-9-15(16(10-21)18(23)22-17)11-4-6-14(20)7-5-11/h1-9H,(H,22,23).
What are the key properties of 6-(3-chlorophenyl)-4-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile?
6-(3-chlorophenyl)-4-(4-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 6-(3-chlorophenyl)-4-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 82639647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).