4-(3-bromo-2-fluorophenyl)-6-(3,4-dichlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile

C18H8BrCl2FN2O — CID 19657039

IUPAC4-(3-bromo-2-fluorophenyl)-6-(3,4-dichlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2cccc(Br)c2F)cc(-c2ccc(Cl)c(Cl)c2)[nH]c1=O
InChIInChI=1S/C18H8BrCl2FN2O/c19-13-3-1-2-10(17(13)22)11-7-16(24-18(25)12(11)8-23)9-4-5-14(20)15(21)6-9/h1-7H,(H,24,25)
InChIKeyMCEPRPVOIANMKH-UHFFFAOYSA-N
MW438.08 g/mol
LogP5.79
Rot. Bonds2

About 4-(3-bromo-2-fluorophenyl)-6-(3,4-dichlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile

4-(3-bromo-2-fluorophenyl)-6-(3,4-dichlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 19657039) has the molecular formula C18H8BrCl2FN2O and a molecular weight of 438.08 g/mol. Its IUPAC name is 4-(3-bromo-2-fluorophenyl)-6-(3,4-dichlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(3-bromo-2-fluorophenyl)-6-(3,4-dichlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID19657039
Molecular FormulaC18H8BrCl2FN2O
Molecular Weight438.08 g/mol
Exact Mass435.92
IUPAC Name4-(3-bromo-2-fluorophenyl)-6-(3,4-dichlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2cccc(Br)c2F)cc(-c2ccc(Cl)c(Cl)c2)[nH]c1=O
InChIInChI=1S/C18H8BrCl2FN2O/c19-13-3-1-2-10(17(13)22)11-7-16(24-18(25)12(11)8-23)9-4-5-14(20)15(21)6-9/h1-7H,(H,24,25)
InChIKeyMCEPRPVOIANMKH-UHFFFAOYSA-N
XLogP5.79
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.08
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-2-fluorophenyl)-6-(3,4-dichlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-(3-bromo-2-fluorophenyl)-6-(3,4-dichlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile (CID 19657039) is 4-(3-bromo-2-fluorophenyl)-6-(3,4-dichlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(3-bromo-2-fluorophenyl)-6-(3,4-dichlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(3-bromo-2-fluorophenyl)-6-(3,4-dichlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile is N#Cc1c(-c2cccc(Br)c2F)cc(-c2ccc(Cl)c(Cl)c2)[nH]c1=O.
What is the InChIKey of 4-(3-bromo-2-fluorophenyl)-6-(3,4-dichlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is MCEPRPVOIANMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H8BrCl2FN2O/c19-13-3-1-2-10(17(13)22)11-7-16(24-18(25)12(11)8-23)9-4-5-14(20)15(21)6-9/h1-7H,(H,24,25).
What are the key properties of 4-(3-bromo-2-fluorophenyl)-6-(3,4-dichlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile?
4-(3-bromo-2-fluorophenyl)-6-(3,4-dichlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 438.08 g/mol, XLogP of 5.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-2-fluorophenyl)-6-(3,4-dichlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 19657039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).