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

C18H10ClFN2O — CID 19656908

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

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

6-(4-chlorophenyl)-4-(3-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 19656908) has the molecular formula C18H10ClFN2O and a molecular weight of 324.74 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-4-(3-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-chlorophenyl)-4-(3-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID19656908
Molecular FormulaC18H10ClFN2O
Molecular Weight324.74 g/mol
Exact Mass324.05
IUPAC Name6-(4-chlorophenyl)-4-(3-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2cccc(F)c2)cc(-c2ccc(Cl)cc2)[nH]c1=O
InChIInChI=1S/C18H10ClFN2O/c19-13-6-4-11(5-7-13)17-9-15(16(10-21)18(23)22-17)12-2-1-3-14(20)8-12/h1-9H,(H,22,23)
InChIKeyOOAOPPWNMNDGJZ-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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Related Compounds

4-(3-chlorophenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile
CID 19656382
4-(3-methylphenyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19656626
4-(3-bromophenyl)-6-(4-ethylphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 3629581
6-(4-chlorophenyl)-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
CID 1477185
methyl 5-[6-(4-chlorophenyl)-3-cyano-2-oxo-1H-pyridin-4-yl]-2-hydroxybenzoate
CID 10619808
4,6-bis(4-bromophenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19656390
4-(4-tert-butylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile
CID 628684
2-oxo-6-phenyl-4-pyridin-4-yl-1H-pyridine-3-carbonitrile
CID 134820680
4,6-bis(3-nitrophenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19656735
4-tert-butyl-6-(4-chlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile;ethane
CID 142311064
4-(3-bromo-2-fluorophenyl)-6-(3,4-dichlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19657039
4-(2-ethoxyphenyl)-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19656984

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-4-(3-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-(4-chlorophenyl)-4-(3-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile (CID 19656908) is 6-(4-chlorophenyl)-4-(3-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-chlorophenyl)-4-(3-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-(4-chlorophenyl)-4-(3-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile is N#Cc1c(-c2cccc(F)c2)cc(-c2ccc(Cl)cc2)[nH]c1=O.
What is the InChIKey of 6-(4-chlorophenyl)-4-(3-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is OOAOPPWNMNDGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClFN2O/c19-13-6-4-11(5-7-13)17-9-15(16(10-21)18(23)22-17)12-2-1-3-14(20)8-12/h1-9H,(H,22,23).
What are the key properties of 6-(4-chlorophenyl)-4-(3-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile?
6-(4-chlorophenyl)-4-(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 6-(4-chlorophenyl)-4-(3-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 19656908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).