bis[3-(2-bromo-3-pyridinyl)phenyl]methanone

C23H14Br2N2O — CID 87732834

IUPACbis[3-(2-bromo-3-pyridinyl)phenyl]methanone
SMILESO=C(c1cccc(-c2cccnc2Br)c1)c1cccc(-c2cccnc2Br)c1
InChIInChI=1S/C23H14Br2N2O/c24-22-19(9-3-11-26-22)15-5-1-7-17(13-15)21(28)18-8-2-6-16(14-18)20-10-4-12-27-23(20)25/h1-14H
InChIKeyDYJUZTQJRIYZBZ-UHFFFAOYSA-N
MW494.19 g/mol
LogP6.57
Rot. Bonds4

About bis[3-(2-bromo-3-pyridinyl)phenyl]methanone

bis[3-(2-bromo-3-pyridinyl)phenyl]methanone (PubChem CID 87732834) has the molecular formula C23H14Br2N2O and a molecular weight of 494.19 g/mol. Its IUPAC name is bis[3-(2-bromo-3-pyridinyl)phenyl]methanone.

Molecular Properties

Compound Namebis[3-(2-bromo-3-pyridinyl)phenyl]methanone
PubChem CID87732834
Molecular FormulaC23H14Br2N2O
Molecular Weight494.19 g/mol
Exact Mass491.95
IUPAC Namebis[3-(2-bromo-3-pyridinyl)phenyl]methanone
SMILESO=C(c1cccc(-c2cccnc2Br)c1)c1cccc(-c2cccnc2Br)c1
InChIInChI=1S/C23H14Br2N2O/c24-22-19(9-3-11-26-22)15-5-1-7-17(13-15)21(28)18-8-2-6-16(14-18)20-10-4-12-27-23(20)25/h1-14H
InChIKeyDYJUZTQJRIYZBZ-UHFFFAOYSA-N
XLogP6.57
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.19
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze bis[3-(2-bromo-3-pyridinyl)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis[3-(2-bromo-3-pyridinyl)phenyl]methanone?
The IUPAC name of bis[3-(2-bromo-3-pyridinyl)phenyl]methanone (CID 87732834) is bis[3-(2-bromo-3-pyridinyl)phenyl]methanone.
What is the SMILES notation for bis[3-(2-bromo-3-pyridinyl)phenyl]methanone?
The canonical SMILES for bis[3-(2-bromo-3-pyridinyl)phenyl]methanone is O=C(c1cccc(-c2cccnc2Br)c1)c1cccc(-c2cccnc2Br)c1.
What is the InChIKey of bis[3-(2-bromo-3-pyridinyl)phenyl]methanone?
The InChIKey is DYJUZTQJRIYZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14Br2N2O/c24-22-19(9-3-11-26-22)15-5-1-7-17(13-15)21(28)18-8-2-6-16(14-18)20-10-4-12-27-23(20)25/h1-14H.
What are the key properties of bis[3-(2-bromo-3-pyridinyl)phenyl]methanone?
bis[3-(2-bromo-3-pyridinyl)phenyl]methanone has a molecular weight of 494.19 g/mol, XLogP of 6.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[3-(2-bromo-3-pyridinyl)phenyl]methanone is sourced from PubChem (CID 87732834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).