About 2,2-dimethylpyrano[3,2-c]pyridine
2,2-dimethylpyrano[3,2-c]pyridine (PubChem CID 14117126) has the molecular formula C10H11NO
and a molecular weight of 161.20 g/mol. Its IUPAC name is 2,2-dimethylpyrano[3,2-c]pyridine.
Molecular Properties
| Compound Name | 2,2-dimethylpyrano[3,2-c]pyridine |
|---|
| PubChem CID | 14117126 |
|---|
| Molecular Formula | C10H11NO |
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| Molecular Weight | 161.20 g/mol |
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| Exact Mass | 161.08 |
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| IUPAC Name | 2,2-dimethylpyrano[3,2-c]pyridine |
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| SMILES | CC1(C)C=Cc2cnccc2O1 |
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| InChI | InChI=1S/C10H11NO/c1-10(2)5-3-8-7-11-6-4-9(8)12-10/h3-7H,1-2H3 |
|---|
| InChIKey | KZFPXYSAYXMXGD-UHFFFAOYSA-N |
|---|
| XLogP | 2.27 |
|---|
| TPSA | 22.12 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | |
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| Heavy Atoms | 12 |
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| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 161.20 |
| LogP ≤ 5 | 2.27 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 2,2-dimethylpyrano[3,2-c]pyridine?
The IUPAC name of 2,2-dimethylpyrano[3,2-c]pyridine (CID 14117126) is 2,2-dimethylpyrano[3,2-c]pyridine.
What is the SMILES notation for 2,2-dimethylpyrano[3,2-c]pyridine?
The canonical SMILES for 2,2-dimethylpyrano[3,2-c]pyridine is CC1(C)C=Cc2cnccc2O1.
What is the InChIKey of 2,2-dimethylpyrano[3,2-c]pyridine?
The InChIKey is KZFPXYSAYXMXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-10(2)5-3-8-7-11-6-4-9(8)12-10/h3-7H,1-2H3.
What are the key properties of 2,2-dimethylpyrano[3,2-c]pyridine?
2,2-dimethylpyrano[3,2-c]pyridine has a molecular weight of 161.20 g/mol, XLogP of 2.27, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpyrano[3,2-c]pyridine is sourced from PubChem (CID 14117126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).