About 1-pyridin-2-ylphenazine
1-pyridin-2-ylphenazine (PubChem CID 57231896) has the molecular formula C17H11N3
and a molecular weight of 257.30 g/mol. Its IUPAC name is 1-pyridin-2-ylphenazine.
Molecular Properties
| Compound Name | 1-pyridin-2-ylphenazine |
| PubChem CID | 57231896 |
| Molecular Formula | C17H11N3 |
| Molecular Weight | 257.30 g/mol |
| Exact Mass | 257.10 |
| IUPAC Name | 1-pyridin-2-ylphenazine |
| SMILES | c1ccc(-c2cccc3nc4ccccc4nc23)nc1 |
| InChI | InChI=1S/C17H11N3/c1-2-9-15-14(8-1)19-16-10-5-6-12(17(16)20-15)13-7-3-4-11-18-13/h1-11H |
| InChIKey | VIFMQDORTLDOKA-UHFFFAOYSA-N |
| XLogP | 3.85 |
| TPSA | 38.67 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Heavy Atoms | 20 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 257.30 |
| LogP ≤ 5 | 3.85 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 1-pyridin-2-ylphenazine?
The IUPAC name of 1-pyridin-2-ylphenazine (CID 57231896) is 1-pyridin-2-ylphenazine.
What is the SMILES notation for 1-pyridin-2-ylphenazine?
The canonical SMILES for 1-pyridin-2-ylphenazine is c1ccc(-c2cccc3nc4ccccc4nc23)nc1.
What is the InChIKey of 1-pyridin-2-ylphenazine?
The InChIKey is VIFMQDORTLDOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3/c1-2-9-15-14(8-1)19-16-10-5-6-12(17(16)20-15)13-7-3-4-11-18-13/h1-11H.
What are the key properties of 1-pyridin-2-ylphenazine?
1-pyridin-2-ylphenazine has a molecular weight of 257.30 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-ylphenazine is sourced from PubChem (CID 57231896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).