About 2-bromo-6-(3-bromophenoxy)pyridine
2-bromo-6-(3-bromophenoxy)pyridine (PubChem CID 63962984) has the molecular formula C11H7Br2NO
and a molecular weight of 328.99 g/mol. Its IUPAC name is 2-bromo-6-(3-bromophenoxy)pyridine.
Molecular Properties
| Compound Name | 2-bromo-6-(3-bromophenoxy)pyridine |
| PubChem CID | 63962984 |
| Molecular Formula | C11H7Br2NO |
| Molecular Weight | 328.99 g/mol |
| Exact Mass | 326.89 |
| IUPAC Name | 2-bromo-6-(3-bromophenoxy)pyridine |
| SMILES | Brc1cccc(Oc2cccc(Br)n2)c1 |
| InChI | InChI=1S/C11H7Br2NO/c12-8-3-1-4-9(7-8)15-11-6-2-5-10(13)14-11/h1-7H |
| InChIKey | GNIAKJYPSQRNFW-UHFFFAOYSA-N |
| XLogP | 4.40 |
| TPSA | 22.12 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 15 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 328.99 |
| LogP ≤ 5 | 4.40 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
|---|
Analyze 2-bromo-6-(3-bromophenoxy)pyridine 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 2-bromo-6-(3-bromophenoxy)pyridine?
The IUPAC name of 2-bromo-6-(3-bromophenoxy)pyridine (CID 63962984) is 2-bromo-6-(3-bromophenoxy)pyridine.
What is the SMILES notation for 2-bromo-6-(3-bromophenoxy)pyridine?
The canonical SMILES for 2-bromo-6-(3-bromophenoxy)pyridine is Brc1cccc(Oc2cccc(Br)n2)c1.
What is the InChIKey of 2-bromo-6-(3-bromophenoxy)pyridine?
The InChIKey is GNIAKJYPSQRNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2NO/c12-8-3-1-4-9(7-8)15-11-6-2-5-10(13)14-11/h1-7H.
What are the key properties of 2-bromo-6-(3-bromophenoxy)pyridine?
2-bromo-6-(3-bromophenoxy)pyridine has a molecular weight of 328.99 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(3-bromophenoxy)pyridine is sourced from PubChem (CID 63962984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).