3-bromo-1-phenyl-5-pyridin-2-ylpyridin-2-one

C16H11BrN2O — CID 22319065

IUPAC3-bromo-1-phenyl-5-pyridin-2-ylpyridin-2-one
SMILESO=c1c(Br)cc(-c2ccccn2)cn1-c1ccccc1
InChIInChI=1S/C16H11BrN2O/c17-14-10-12(15-8-4-5-9-18-15)11-19(16(14)20)13-6-2-1-3-7-13/h1-11H
InChIKeyGSESXDVCGLBTLD-UHFFFAOYSA-N
MW327.18 g/mol
LogP3.66
Rot. Bonds2

About 3-bromo-1-phenyl-5-pyridin-2-ylpyridin-2-one

3-bromo-1-phenyl-5-pyridin-2-ylpyridin-2-one (PubChem CID 22319065) has the molecular formula C16H11BrN2O and a molecular weight of 327.18 g/mol. Its IUPAC name is 3-bromo-1-phenyl-5-pyridin-2-ylpyridin-2-one.

Molecular Properties

Compound Name3-bromo-1-phenyl-5-pyridin-2-ylpyridin-2-one
PubChem CID22319065
Molecular FormulaC16H11BrN2O
Molecular Weight327.18 g/mol
Exact Mass326.01
IUPAC Name3-bromo-1-phenyl-5-pyridin-2-ylpyridin-2-one
SMILESO=c1c(Br)cc(-c2ccccn2)cn1-c1ccccc1
InChIInChI=1S/C16H11BrN2O/c17-14-10-12(15-8-4-5-9-18-15)11-19(16(14)20)13-6-2-1-3-7-13/h1-11H
InChIKeyGSESXDVCGLBTLD-UHFFFAOYSA-N
XLogP3.66
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-phenyl-5-pyridin-2-ylpyridin-2-one?
The IUPAC name of 3-bromo-1-phenyl-5-pyridin-2-ylpyridin-2-one (CID 22319065) is 3-bromo-1-phenyl-5-pyridin-2-ylpyridin-2-one.
What is the SMILES notation for 3-bromo-1-phenyl-5-pyridin-2-ylpyridin-2-one?
The canonical SMILES for 3-bromo-1-phenyl-5-pyridin-2-ylpyridin-2-one is O=c1c(Br)cc(-c2ccccn2)cn1-c1ccccc1.
What is the InChIKey of 3-bromo-1-phenyl-5-pyridin-2-ylpyridin-2-one?
The InChIKey is GSESXDVCGLBTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN2O/c17-14-10-12(15-8-4-5-9-18-15)11-19(16(14)20)13-6-2-1-3-7-13/h1-11H.
What are the key properties of 3-bromo-1-phenyl-5-pyridin-2-ylpyridin-2-one?
3-bromo-1-phenyl-5-pyridin-2-ylpyridin-2-one has a molecular weight of 327.18 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-phenyl-5-pyridin-2-ylpyridin-2-one is sourced from PubChem (CID 22319065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).