About 2-(oxan-4-yl)pyridine
2-(oxan-4-yl)pyridine (PubChem CID 21411744) has the molecular formula C10H13NO
and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-(oxan-4-yl)pyridine.
Molecular Properties
| Compound Name | 2-(oxan-4-yl)pyridine |
|---|
| PubChem CID | 21411744 |
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| Molecular Formula | C10H13NO |
|---|
| Molecular Weight | 163.22 g/mol |
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| Exact Mass | 163.10 |
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| IUPAC Name | 2-(oxan-4-yl)pyridine |
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| SMILES | c1ccc(C2CCOCC2)nc1 |
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| InChI | InChI=1S/C10H13NO/c1-2-6-11-10(3-1)9-4-7-12-8-5-9/h1-3,6,9H,4-5,7-8H2 |
|---|
| InChIKey | BVBHDYYQFLIXRS-UHFFFAOYSA-N |
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| XLogP | 1.98 |
|---|
| TPSA | 22.12 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 1 |
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| Heavy Atoms | 12 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 163.22 |
| LogP ≤ 5 | 1.98 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 2-(oxan-4-yl)pyridine?
The IUPAC name of 2-(oxan-4-yl)pyridine (CID 21411744) is 2-(oxan-4-yl)pyridine.
What is the SMILES notation for 2-(oxan-4-yl)pyridine?
The canonical SMILES for 2-(oxan-4-yl)pyridine is c1ccc(C2CCOCC2)nc1.
What is the InChIKey of 2-(oxan-4-yl)pyridine?
The InChIKey is BVBHDYYQFLIXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-2-6-11-10(3-1)9-4-7-12-8-5-9/h1-3,6,9H,4-5,7-8H2.
What are the key properties of 2-(oxan-4-yl)pyridine?
2-(oxan-4-yl)pyridine has a molecular weight of 163.22 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)pyridine is sourced from PubChem (CID 21411744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).