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

C24H14BrNO — CID 167529338

IUPAC2-(2-bromophenyl)-4-phenylindeno[1,2-b]pyridin-5-one
SMILESO=C1c2ccccc2-c2nc(-c3ccccc3Br)cc(-c3ccccc3)c21
InChIInChI=1S/C24H14BrNO/c25-20-13-7-6-12-18(20)21-14-19(15-8-2-1-3-9-15)22-23(26-21)16-10-4-5-11-17(16)24(22)27/h1-14H
InChIKeyLPYXKDPWWXNFOA-UHFFFAOYSA-N
MW412.29 g/mol
LogP6.39
Rot. Bonds2

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

2-(2-bromophenyl)-4-phenylindeno[1,2-b]pyridin-5-one (PubChem CID 167529338) has the molecular formula C24H14BrNO and a molecular weight of 412.29 g/mol. Its IUPAC name is 2-(2-bromophenyl)-4-phenylindeno[1,2-b]pyridin-5-one.

Molecular Properties

Compound Name2-(2-bromophenyl)-4-phenylindeno[1,2-b]pyridin-5-one
PubChem CID167529338
Molecular FormulaC24H14BrNO
Molecular Weight412.29 g/mol
Exact Mass411.03
IUPAC Name2-(2-bromophenyl)-4-phenylindeno[1,2-b]pyridin-5-one
SMILESO=C1c2ccccc2-c2nc(-c3ccccc3Br)cc(-c3ccccc3)c21
InChIInChI=1S/C24H14BrNO/c25-20-13-7-6-12-18(20)21-14-19(15-8-2-1-3-9-15)22-23(26-21)16-10-4-5-11-17(16)24(22)27/h1-14H
InChIKeyLPYXKDPWWXNFOA-UHFFFAOYSA-N
XLogP6.39
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.29
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-(2-bromophenyl)-4-phenylindeno[1,2-b]pyridin-5-one?
The IUPAC name of 2-(2-bromophenyl)-4-phenylindeno[1,2-b]pyridin-5-one (CID 167529338) is 2-(2-bromophenyl)-4-phenylindeno[1,2-b]pyridin-5-one.
What is the SMILES notation for 2-(2-bromophenyl)-4-phenylindeno[1,2-b]pyridin-5-one?
The canonical SMILES for 2-(2-bromophenyl)-4-phenylindeno[1,2-b]pyridin-5-one is O=C1c2ccccc2-c2nc(-c3ccccc3Br)cc(-c3ccccc3)c21.
What is the InChIKey of 2-(2-bromophenyl)-4-phenylindeno[1,2-b]pyridin-5-one?
The InChIKey is LPYXKDPWWXNFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14BrNO/c25-20-13-7-6-12-18(20)21-14-19(15-8-2-1-3-9-15)22-23(26-21)16-10-4-5-11-17(16)24(22)27/h1-14H.
What are the key properties of 2-(2-bromophenyl)-4-phenylindeno[1,2-b]pyridin-5-one?
2-(2-bromophenyl)-4-phenylindeno[1,2-b]pyridin-5-one has a molecular weight of 412.29 g/mol, XLogP of 6.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-4-phenylindeno[1,2-b]pyridin-5-one is sourced from PubChem (CID 167529338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).