2-(5-bromo-2-oxo-1-phenyl-3-pyridinyl)benzonitrile

C18H11BrN2O — CID 22318990

IUPAC2-(5-bromo-2-oxo-1-phenyl-3-pyridinyl)benzonitrile
SMILESN#Cc1ccccc1-c1cc(Br)cn(-c2ccccc2)c1=O
InChIInChI=1S/C18H11BrN2O/c19-14-10-17(16-9-5-4-6-13(16)11-20)18(22)21(12-14)15-7-2-1-3-8-15/h1-10,12H
InChIKeyMECNIGGKZPCOJT-UHFFFAOYSA-N
MW351.20 g/mol
LogP4.14
Rot. Bonds2

About 2-(5-bromo-2-oxo-1-phenyl-3-pyridinyl)benzonitrile

2-(5-bromo-2-oxo-1-phenyl-3-pyridinyl)benzonitrile (PubChem CID 22318990) has the molecular formula C18H11BrN2O and a molecular weight of 351.20 g/mol. Its IUPAC name is 2-(5-bromo-2-oxo-1-phenyl-3-pyridinyl)benzonitrile.

Molecular Properties

Compound Name2-(5-bromo-2-oxo-1-phenyl-3-pyridinyl)benzonitrile
PubChem CID22318990
Molecular FormulaC18H11BrN2O
Molecular Weight351.20 g/mol
Exact Mass350.01
IUPAC Name2-(5-bromo-2-oxo-1-phenyl-3-pyridinyl)benzonitrile
SMILESN#Cc1ccccc1-c1cc(Br)cn(-c2ccccc2)c1=O
InChIInChI=1S/C18H11BrN2O/c19-14-10-17(16-9-5-4-6-13(16)11-20)18(22)21(12-14)15-7-2-1-3-8-15/h1-10,12H
InChIKeyMECNIGGKZPCOJT-UHFFFAOYSA-N
XLogP4.14
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-oxo-1-phenyl-3-pyridinyl)benzonitrile?
The IUPAC name of 2-(5-bromo-2-oxo-1-phenyl-3-pyridinyl)benzonitrile (CID 22318990) is 2-(5-bromo-2-oxo-1-phenyl-3-pyridinyl)benzonitrile.
What is the SMILES notation for 2-(5-bromo-2-oxo-1-phenyl-3-pyridinyl)benzonitrile?
The canonical SMILES for 2-(5-bromo-2-oxo-1-phenyl-3-pyridinyl)benzonitrile is N#Cc1ccccc1-c1cc(Br)cn(-c2ccccc2)c1=O.
What is the InChIKey of 2-(5-bromo-2-oxo-1-phenyl-3-pyridinyl)benzonitrile?
The InChIKey is MECNIGGKZPCOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrN2O/c19-14-10-17(16-9-5-4-6-13(16)11-20)18(22)21(12-14)15-7-2-1-3-8-15/h1-10,12H.
What are the key properties of 2-(5-bromo-2-oxo-1-phenyl-3-pyridinyl)benzonitrile?
2-(5-bromo-2-oxo-1-phenyl-3-pyridinyl)benzonitrile has a molecular weight of 351.20 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-oxo-1-phenyl-3-pyridinyl)benzonitrile is sourced from PubChem (CID 22318990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).