4-(4-bromophenyl)-2-pyridin-2-ylindeno[1,2-b]pyridin-5-one

C23H13BrN2O — CID 102155629

IUPAC4-(4-bromophenyl)-2-pyridin-2-ylindeno[1,2-b]pyridin-5-one
SMILESO=C1c2ccccc2-c2nc(-c3ccccn3)cc(-c3ccc(Br)cc3)c21
InChIInChI=1S/C23H13BrN2O/c24-15-10-8-14(9-11-15)18-13-20(19-7-3-4-12-25-19)26-22-16-5-1-2-6-17(16)23(27)21(18)22/h1-13H
InChIKeyIUPAXDGKQXJBMY-UHFFFAOYSA-N
MW413.27 g/mol
LogP5.78
Rot. Bonds2

About 4-(4-bromophenyl)-2-pyridin-2-ylindeno[1,2-b]pyridin-5-one

4-(4-bromophenyl)-2-pyridin-2-ylindeno[1,2-b]pyridin-5-one (PubChem CID 102155629) has the molecular formula C23H13BrN2O and a molecular weight of 413.27 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2-pyridin-2-ylindeno[1,2-b]pyridin-5-one.

Molecular Properties

Compound Name4-(4-bromophenyl)-2-pyridin-2-ylindeno[1,2-b]pyridin-5-one
PubChem CID102155629
Molecular FormulaC23H13BrN2O
Molecular Weight413.27 g/mol
Exact Mass412.02
IUPAC Name4-(4-bromophenyl)-2-pyridin-2-ylindeno[1,2-b]pyridin-5-one
SMILESO=C1c2ccccc2-c2nc(-c3ccccn3)cc(-c3ccc(Br)cc3)c21
InChIInChI=1S/C23H13BrN2O/c24-15-10-8-14(9-11-15)18-13-20(19-7-3-4-12-25-19)26-22-16-5-1-2-6-17(16)23(27)21(18)22/h1-13H
InChIKeyIUPAXDGKQXJBMY-UHFFFAOYSA-N
XLogP5.78
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.27
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_phenone_A(11)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-2-pyridin-2-ylindeno[1,2-b]pyridin-5-one?
The IUPAC name of 4-(4-bromophenyl)-2-pyridin-2-ylindeno[1,2-b]pyridin-5-one (CID 102155629) is 4-(4-bromophenyl)-2-pyridin-2-ylindeno[1,2-b]pyridin-5-one.
What is the SMILES notation for 4-(4-bromophenyl)-2-pyridin-2-ylindeno[1,2-b]pyridin-5-one?
The canonical SMILES for 4-(4-bromophenyl)-2-pyridin-2-ylindeno[1,2-b]pyridin-5-one is O=C1c2ccccc2-c2nc(-c3ccccn3)cc(-c3ccc(Br)cc3)c21.
What is the InChIKey of 4-(4-bromophenyl)-2-pyridin-2-ylindeno[1,2-b]pyridin-5-one?
The InChIKey is IUPAXDGKQXJBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13BrN2O/c24-15-10-8-14(9-11-15)18-13-20(19-7-3-4-12-25-19)26-22-16-5-1-2-6-17(16)23(27)21(18)22/h1-13H.
What are the key properties of 4-(4-bromophenyl)-2-pyridin-2-ylindeno[1,2-b]pyridin-5-one?
4-(4-bromophenyl)-2-pyridin-2-ylindeno[1,2-b]pyridin-5-one has a molecular weight of 413.27 g/mol, XLogP of 5.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-2-pyridin-2-ylindeno[1,2-b]pyridin-5-one is sourced from PubChem (CID 102155629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).