About 2-(2-bromodecyl)pyridine
2-(2-bromodecyl)pyridine (PubChem CID 66452883) has the molecular formula C15H24BrN
and a molecular weight of 298.27 g/mol. Its IUPAC name is 2-(2-bromodecyl)pyridine.
Molecular Properties
| Compound Name | 2-(2-bromodecyl)pyridine |
| PubChem CID | 66452883 |
| Molecular Formula | C15H24BrN |
| Molecular Weight | 298.27 g/mol |
| Exact Mass | 297.11 |
| IUPAC Name | 2-(2-bromodecyl)pyridine |
| SMILES | CCCCCCCCC(Br)Cc1ccccn1 |
| InChI | InChI=1S/C15H24BrN/c1-2-3-4-5-6-7-10-14(16)13-15-11-8-9-12-17-15/h8-9,11-12,14H,2-7,10,13H2,1H3 |
| InChIKey | UXEOQACBXWTGHT-UHFFFAOYSA-N |
| XLogP | 5.14 |
| TPSA | 12.89 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 9 |
| Heavy Atoms | 17 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 298.27 |
| LogP ≤ 5 | 5.14 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-(2-bromodecyl)pyridine?
The IUPAC name of 2-(2-bromodecyl)pyridine (CID 66452883) is 2-(2-bromodecyl)pyridine.
What is the SMILES notation for 2-(2-bromodecyl)pyridine?
The canonical SMILES for 2-(2-bromodecyl)pyridine is CCCCCCCCC(Br)Cc1ccccn1.
What is the InChIKey of 2-(2-bromodecyl)pyridine?
The InChIKey is UXEOQACBXWTGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN/c1-2-3-4-5-6-7-10-14(16)13-15-11-8-9-12-17-15/h8-9,11-12,14H,2-7,10,13H2,1H3.
What are the key properties of 2-(2-bromodecyl)pyridine?
2-(2-bromodecyl)pyridine has a molecular weight of 298.27 g/mol, XLogP of 5.14, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromodecyl)pyridine is sourced from PubChem (CID 66452883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).