5-bromo-1-[(2-pyridin-4-ylphenyl)methyl]pyridin-2-one

C17H13BrN2O — CID 140931430

IUPAC5-bromo-1-[(2-pyridin-4-ylphenyl)methyl]pyridin-2-one
SMILESO=c1ccc(Br)cn1Cc1ccccc1-c1ccncc1
InChIInChI=1S/C17H13BrN2O/c18-15-5-6-17(21)20(12-15)11-14-3-1-2-4-16(14)13-7-9-19-10-8-13/h1-10,12H,11H2
InChIKeyUTECZFWXYLDSBN-UHFFFAOYSA-N
MW341.21 g/mol
LogP3.72
Rot. Bonds3

About 5-bromo-1-[(2-pyridin-4-ylphenyl)methyl]pyridin-2-one

5-bromo-1-[(2-pyridin-4-ylphenyl)methyl]pyridin-2-one (PubChem CID 140931430) has the molecular formula C17H13BrN2O and a molecular weight of 341.21 g/mol. Its IUPAC name is 5-bromo-1-[(2-pyridin-4-ylphenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-[(2-pyridin-4-ylphenyl)methyl]pyridin-2-one
PubChem CID140931430
Molecular FormulaC17H13BrN2O
Molecular Weight341.21 g/mol
Exact Mass340.02
IUPAC Name5-bromo-1-[(2-pyridin-4-ylphenyl)methyl]pyridin-2-one
SMILESO=c1ccc(Br)cn1Cc1ccccc1-c1ccncc1
InChIInChI=1S/C17H13BrN2O/c18-15-5-6-17(21)20(12-15)11-14-3-1-2-4-16(14)13-7-9-19-10-8-13/h1-10,12H,11H2
InChIKeyUTECZFWXYLDSBN-UHFFFAOYSA-N
XLogP3.72
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[(2-pyridin-4-ylphenyl)methyl]pyridin-2-one?
The IUPAC name of 5-bromo-1-[(2-pyridin-4-ylphenyl)methyl]pyridin-2-one (CID 140931430) is 5-bromo-1-[(2-pyridin-4-ylphenyl)methyl]pyridin-2-one.
What is the SMILES notation for 5-bromo-1-[(2-pyridin-4-ylphenyl)methyl]pyridin-2-one?
The canonical SMILES for 5-bromo-1-[(2-pyridin-4-ylphenyl)methyl]pyridin-2-one is O=c1ccc(Br)cn1Cc1ccccc1-c1ccncc1.
What is the InChIKey of 5-bromo-1-[(2-pyridin-4-ylphenyl)methyl]pyridin-2-one?
The InChIKey is UTECZFWXYLDSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O/c18-15-5-6-17(21)20(12-15)11-14-3-1-2-4-16(14)13-7-9-19-10-8-13/h1-10,12H,11H2.
What are the key properties of 5-bromo-1-[(2-pyridin-4-ylphenyl)methyl]pyridin-2-one?
5-bromo-1-[(2-pyridin-4-ylphenyl)methyl]pyridin-2-one has a molecular weight of 341.21 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[(2-pyridin-4-ylphenyl)methyl]pyridin-2-one is sourced from PubChem (CID 140931430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).