About 10-pyridin-2-ylphenanthren-9-ol
10-pyridin-2-ylphenanthren-9-ol (PubChem CID 135973428) has the molecular formula C19H13NO
and a molecular weight of 271.32 g/mol. Its IUPAC name is 10-pyridin-2-ylphenanthren-9-ol.
Molecular Properties
| Compound Name | 10-pyridin-2-ylphenanthren-9-ol |
| PubChem CID | 135973428 |
| Molecular Formula | C19H13NO |
| Molecular Weight | 271.32 g/mol |
| Exact Mass | 271.10 |
| IUPAC Name | 10-pyridin-2-ylphenanthren-9-ol |
| SMILES | Oc1c(-c2ccccn2)c2ccccc2c2ccccc12 |
| InChI | InChI=1S/C19H13NO/c21-19-16-10-4-2-8-14(16)13-7-1-3-9-15(13)18(19)17-11-5-6-12-20-17/h1-12,21H |
| InChIKey | KMPAJWWQSZCYSK-UHFFFAOYSA-N |
| XLogP | 4.76 |
| TPSA | 33.12 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Heavy Atoms | 21 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 271.32 |
| LogP ≤ 5 | 4.76 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 10-pyridin-2-ylphenanthren-9-ol?
The IUPAC name of 10-pyridin-2-ylphenanthren-9-ol (CID 135973428) is 10-pyridin-2-ylphenanthren-9-ol.
What is the SMILES notation for 10-pyridin-2-ylphenanthren-9-ol?
The canonical SMILES for 10-pyridin-2-ylphenanthren-9-ol is Oc1c(-c2ccccn2)c2ccccc2c2ccccc12.
What is the InChIKey of 10-pyridin-2-ylphenanthren-9-ol?
The InChIKey is KMPAJWWQSZCYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO/c21-19-16-10-4-2-8-14(16)13-7-1-3-9-15(13)18(19)17-11-5-6-12-20-17/h1-12,21H.
What are the key properties of 10-pyridin-2-ylphenanthren-9-ol?
10-pyridin-2-ylphenanthren-9-ol has a molecular weight of 271.32 g/mol, XLogP of 4.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-pyridin-2-ylphenanthren-9-ol is sourced from PubChem (CID 135973428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).