About 1-(3-methyl-2-pyridinyl)-10H-phenoxazine
1-(3-methyl-2-pyridinyl)-10H-phenoxazine (PubChem CID 122540457) has the molecular formula C18H14N2O
and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-(3-methyl-2-pyridinyl)-10H-phenoxazine.
Molecular Properties
| Compound Name | 1-(3-methyl-2-pyridinyl)-10H-phenoxazine |
| PubChem CID | 122540457 |
| Molecular Formula | C18H14N2O |
| Molecular Weight | 274.32 g/mol |
| Exact Mass | 274.11 |
| IUPAC Name | 1-(3-methyl-2-pyridinyl)-10H-phenoxazine |
| SMILES | Cc1cccnc1-c1cccc2c1Nc1ccccc1O2 |
| InChI | InChI=1S/C18H14N2O/c1-12-6-5-11-19-17(12)13-7-4-10-16-18(13)20-14-8-2-3-9-15(14)21-16/h2-11,20H,1H3 |
| InChIKey | AAFZLFFGAQPYJK-UHFFFAOYSA-N |
| XLogP | 4.91 |
| TPSA | 34.15 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Heavy Atoms | 21 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 274.32 |
| LogP ≤ 5 | 4.91 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 1-(3-methyl-2-pyridinyl)-10H-phenoxazine?
The IUPAC name of 1-(3-methyl-2-pyridinyl)-10H-phenoxazine (CID 122540457) is 1-(3-methyl-2-pyridinyl)-10H-phenoxazine.
What is the SMILES notation for 1-(3-methyl-2-pyridinyl)-10H-phenoxazine?
The canonical SMILES for 1-(3-methyl-2-pyridinyl)-10H-phenoxazine is Cc1cccnc1-c1cccc2c1Nc1ccccc1O2.
What is the InChIKey of 1-(3-methyl-2-pyridinyl)-10H-phenoxazine?
The InChIKey is AAFZLFFGAQPYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O/c1-12-6-5-11-19-17(12)13-7-4-10-16-18(13)20-14-8-2-3-9-15(14)21-16/h2-11,20H,1H3.
What are the key properties of 1-(3-methyl-2-pyridinyl)-10H-phenoxazine?
1-(3-methyl-2-pyridinyl)-10H-phenoxazine has a molecular weight of 274.32 g/mol, XLogP of 4.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2-pyridinyl)-10H-phenoxazine is sourced from PubChem (CID 122540457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).