About 9-pyridin-2-ylnonan-1-ol
9-pyridin-2-ylnonan-1-ol (PubChem CID 12680899) has the molecular formula C14H23NO
and a molecular weight of 221.34 g/mol. Its IUPAC name is 9-pyridin-2-ylnonan-1-ol.
Molecular Properties
| Compound Name | 9-pyridin-2-ylnonan-1-ol |
| PubChem CID | 12680899 |
| Molecular Formula | C14H23NO |
| Molecular Weight | 221.34 g/mol |
| Exact Mass | 221.18 |
| IUPAC Name | 9-pyridin-2-ylnonan-1-ol |
| SMILES | OCCCCCCCCCc1ccccn1 |
| InChI | InChI=1S/C14H23NO/c16-13-9-5-3-1-2-4-6-10-14-11-7-8-12-15-14/h7-8,11-12,16H,1-6,9-10,13H2 |
| InChIKey | JFHVDFWVXUOVDD-UHFFFAOYSA-N |
| XLogP | 3.35 |
| TPSA | 33.12 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 221.34 |
| LogP ≤ 5 | 3.35 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 9-pyridin-2-ylnonan-1-ol?
The IUPAC name of 9-pyridin-2-ylnonan-1-ol (CID 12680899) is 9-pyridin-2-ylnonan-1-ol.
What is the SMILES notation for 9-pyridin-2-ylnonan-1-ol?
The canonical SMILES for 9-pyridin-2-ylnonan-1-ol is OCCCCCCCCCc1ccccn1.
What is the InChIKey of 9-pyridin-2-ylnonan-1-ol?
The InChIKey is JFHVDFWVXUOVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c16-13-9-5-3-1-2-4-6-10-14-11-7-8-12-15-14/h7-8,11-12,16H,1-6,9-10,13H2.
What are the key properties of 9-pyridin-2-ylnonan-1-ol?
9-pyridin-2-ylnonan-1-ol has a molecular weight of 221.34 g/mol, XLogP of 3.35, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-pyridin-2-ylnonan-1-ol is sourced from PubChem (CID 12680899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).