About 3-azulen-6-ylpyridine
3-azulen-6-ylpyridine (PubChem CID 86232079) has the molecular formula C15H11N
and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-azulen-6-ylpyridine.
Molecular Properties
| Compound Name | 3-azulen-6-ylpyridine |
| PubChem CID | 86232079 |
| Molecular Formula | C15H11N |
| Molecular Weight | 205.26 g/mol |
| Exact Mass | 205.09 |
| IUPAC Name | 3-azulen-6-ylpyridine |
| SMILES | c1cc2ccc(-c3cccnc3)ccc-2c1 |
| InChI | InChI=1S/C15H11N/c1-3-12-6-8-14(9-7-13(12)4-1)15-5-2-10-16-11-15/h1-11H |
| InChIKey | BSFKETITMPEEJH-UHFFFAOYSA-N |
| XLogP | 3.85 |
| TPSA | 12.89 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 205.26 |
| LogP ≤ 5 | 3.85 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
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Frequently Asked Questions
What is the IUPAC name of 3-azulen-6-ylpyridine?
The IUPAC name of 3-azulen-6-ylpyridine (CID 86232079) is 3-azulen-6-ylpyridine.
What is the SMILES notation for 3-azulen-6-ylpyridine?
The canonical SMILES for 3-azulen-6-ylpyridine is c1cc2ccc(-c3cccnc3)ccc-2c1.
What is the InChIKey of 3-azulen-6-ylpyridine?
The InChIKey is BSFKETITMPEEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N/c1-3-12-6-8-14(9-7-13(12)4-1)15-5-2-10-16-11-15/h1-11H.
What are the key properties of 3-azulen-6-ylpyridine?
3-azulen-6-ylpyridine has a molecular weight of 205.26 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azulen-6-ylpyridine is sourced from PubChem (CID 86232079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).