About 2,6-dimethylpyrazine;ethane;hydroiodide
2,6-dimethylpyrazine;ethane;hydroiodide (PubChem CID 143762997) has the molecular formula C8H15IN2
and a molecular weight of 266.13 g/mol. Its IUPAC name is 2,6-dimethylpyrazine;ethane;hydroiodide.
Molecular Properties
| Compound Name | 2,6-dimethylpyrazine;ethane;hydroiodide |
|---|
| PubChem CID | 143762997 |
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| Molecular Formula | C8H15IN2 |
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| Molecular Weight | 266.13 g/mol |
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| Exact Mass | 266.03 |
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| IUPAC Name | 2,6-dimethylpyrazine;ethane;hydroiodide |
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| SMILES | CC.Cc1cncc(C)n1.I |
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| InChI | InChI=1S/C6H8N2.C2H6.HI/c1-5-3-7-4-6(2)8-5;1-2;/h3-4H,1-2H3;1-2H3;1H |
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| InChIKey | WHZXDNZISLBAPW-UHFFFAOYSA-N |
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| XLogP | 2.74 |
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| TPSA | 25.78 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 | 11 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 266.13 |
| LogP ≤ 5 | 2.74 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'iodine', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2,6-dimethylpyrazine;ethane;hydroiodide?
The IUPAC name of 2,6-dimethylpyrazine;ethane;hydroiodide (CID 143762997) is 2,6-dimethylpyrazine;ethane;hydroiodide.
What is the SMILES notation for 2,6-dimethylpyrazine;ethane;hydroiodide?
The canonical SMILES for 2,6-dimethylpyrazine;ethane;hydroiodide is CC.Cc1cncc(C)n1.I.
What is the InChIKey of 2,6-dimethylpyrazine;ethane;hydroiodide?
The InChIKey is WHZXDNZISLBAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2.C2H6.HI/c1-5-3-7-4-6(2)8-5;1-2;/h3-4H,1-2H3;1-2H3;1H.
What are the key properties of 2,6-dimethylpyrazine;ethane;hydroiodide?
2,6-dimethylpyrazine;ethane;hydroiodide has a molecular weight of 266.13 g/mol, XLogP of 2.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylpyrazine;ethane;hydroiodide is sourced from PubChem (CID 143762997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).