4-(3,5-dibromophenyl)-2,6-dipyridin-2-ylpyridine

C21H13Br2N3 — CID 15436259

IUPAC4-(3,5-dibromophenyl)-2,6-dipyridin-2-ylpyridine
SMILESBrc1cc(Br)cc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)c1
InChIInChI=1S/C21H13Br2N3/c22-16-9-14(10-17(23)13-16)15-11-20(18-5-1-3-7-24-18)26-21(12-15)19-6-2-4-8-25-19/h1-13H
InChIKeyZVTJYSJQYPQQJJ-UHFFFAOYSA-N
MW467.16 g/mol
LogP6.40
Rot. Bonds3

About 4-(3,5-dibromophenyl)-2,6-dipyridin-2-ylpyridine

4-(3,5-dibromophenyl)-2,6-dipyridin-2-ylpyridine (PubChem CID 15436259) has the molecular formula C21H13Br2N3 and a molecular weight of 467.16 g/mol. Its IUPAC name is 4-(3,5-dibromophenyl)-2,6-dipyridin-2-ylpyridine.

Molecular Properties

Compound Name4-(3,5-dibromophenyl)-2,6-dipyridin-2-ylpyridine
PubChem CID15436259
Molecular FormulaC21H13Br2N3
Molecular Weight467.16 g/mol
Exact Mass464.95
IUPAC Name4-(3,5-dibromophenyl)-2,6-dipyridin-2-ylpyridine
SMILESBrc1cc(Br)cc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)c1
InChIInChI=1S/C21H13Br2N3/c22-16-9-14(10-17(23)13-16)15-11-20(18-5-1-3-7-24-18)26-21(12-15)19-6-2-4-8-25-19/h1-13H
InChIKeyZVTJYSJQYPQQJJ-UHFFFAOYSA-N
XLogP6.40
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.16
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(3,5-dibromophenyl)-2,6-dipyridin-2-ylpyridine 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 4-(3,5-dibromophenyl)-2,6-dipyridin-2-ylpyridine?
The IUPAC name of 4-(3,5-dibromophenyl)-2,6-dipyridin-2-ylpyridine (CID 15436259) is 4-(3,5-dibromophenyl)-2,6-dipyridin-2-ylpyridine.
What is the SMILES notation for 4-(3,5-dibromophenyl)-2,6-dipyridin-2-ylpyridine?
The canonical SMILES for 4-(3,5-dibromophenyl)-2,6-dipyridin-2-ylpyridine is Brc1cc(Br)cc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)c1.
What is the InChIKey of 4-(3,5-dibromophenyl)-2,6-dipyridin-2-ylpyridine?
The InChIKey is ZVTJYSJQYPQQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Br2N3/c22-16-9-14(10-17(23)13-16)15-11-20(18-5-1-3-7-24-18)26-21(12-15)19-6-2-4-8-25-19/h1-13H.
What are the key properties of 4-(3,5-dibromophenyl)-2,6-dipyridin-2-ylpyridine?
4-(3,5-dibromophenyl)-2,6-dipyridin-2-ylpyridine has a molecular weight of 467.16 g/mol, XLogP of 6.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dibromophenyl)-2,6-dipyridin-2-ylpyridine is sourced from PubChem (CID 15436259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).