About 2-bromo-6-[3-(6-bromo-2-pyridinyl)phenyl]pyridine
2-bromo-6-[3-(6-bromo-2-pyridinyl)phenyl]pyridine (PubChem CID 132991958) has the molecular formula C16H10Br2N2
and a molecular weight of 390.08 g/mol. Its IUPAC name is 2-bromo-6-[3-(6-bromo-2-pyridinyl)phenyl]pyridine.
Molecular Properties
| Compound Name | 2-bromo-6-[3-(6-bromo-2-pyridinyl)phenyl]pyridine |
| PubChem CID | 132991958 |
| Molecular Formula | C16H10Br2N2 |
| Molecular Weight | 390.08 g/mol |
| Exact Mass | 387.92 |
| IUPAC Name | 2-bromo-6-[3-(6-bromo-2-pyridinyl)phenyl]pyridine |
| SMILES | Brc1cccc(-c2cccc(-c3cccc(Br)n3)c2)n1 |
| InChI | InChI=1S/C16H10Br2N2/c17-15-8-2-6-13(19-15)11-4-1-5-12(10-11)14-7-3-9-16(18)20-14/h1-10H |
| InChIKey | COWYGNQSNZAPKP-UHFFFAOYSA-N |
| XLogP | 5.34 |
| TPSA | 25.78 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 20 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 390.08 |
| LogP ≤ 5 | 5.34 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-bromo-6-[3-(6-bromo-2-pyridinyl)phenyl]pyridine?
The IUPAC name of 2-bromo-6-[3-(6-bromo-2-pyridinyl)phenyl]pyridine (CID 132991958) is 2-bromo-6-[3-(6-bromo-2-pyridinyl)phenyl]pyridine.
What is the SMILES notation for 2-bromo-6-[3-(6-bromo-2-pyridinyl)phenyl]pyridine?
The canonical SMILES for 2-bromo-6-[3-(6-bromo-2-pyridinyl)phenyl]pyridine is Brc1cccc(-c2cccc(-c3cccc(Br)n3)c2)n1.
What is the InChIKey of 2-bromo-6-[3-(6-bromo-2-pyridinyl)phenyl]pyridine?
The InChIKey is COWYGNQSNZAPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Br2N2/c17-15-8-2-6-13(19-15)11-4-1-5-12(10-11)14-7-3-9-16(18)20-14/h1-10H.
What are the key properties of 2-bromo-6-[3-(6-bromo-2-pyridinyl)phenyl]pyridine?
2-bromo-6-[3-(6-bromo-2-pyridinyl)phenyl]pyridine has a molecular weight of 390.08 g/mol, XLogP of 5.34, 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-(6-bromo-2-pyridinyl)phenyl]pyridine is sourced from PubChem (CID 132991958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).