About 5-iodo-3,6-dimethylpyridin-2-amine
5-iodo-3,6-dimethylpyridin-2-amine (PubChem CID 18380142) has the molecular formula C7H9IN2
and a molecular weight of 248.07 g/mol. Its IUPAC name is 5-iodo-3,6-dimethylpyridin-2-amine.
Molecular Properties
| Compound Name | 5-iodo-3,6-dimethylpyridin-2-amine |
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| PubChem CID | 18380142 |
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| Molecular Formula | C7H9IN2 |
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| Molecular Weight | 248.07 g/mol |
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| Exact Mass | 247.98 |
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| IUPAC Name | 5-iodo-3,6-dimethylpyridin-2-amine |
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| SMILES | Cc1cc(I)c(C)nc1N |
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| InChI | InChI=1S/C7H9IN2/c1-4-3-6(8)5(2)10-7(4)9/h3H,1-2H3,(H2,9,10) |
|---|
| InChIKey | LDKCWGCCWUDLEX-UHFFFAOYSA-N |
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| XLogP | 1.89 |
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| TPSA | 38.91 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | |
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| Heavy Atoms | 10 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 248.07 |
| LogP ≤ 5 | 1.89 |
| H-Bond Donors ≤ 5 | 1 |
| 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 5-iodo-3,6-dimethylpyridin-2-amine?
The IUPAC name of 5-iodo-3,6-dimethylpyridin-2-amine (CID 18380142) is 5-iodo-3,6-dimethylpyridin-2-amine.
What is the SMILES notation for 5-iodo-3,6-dimethylpyridin-2-amine?
The canonical SMILES for 5-iodo-3,6-dimethylpyridin-2-amine is Cc1cc(I)c(C)nc1N.
What is the InChIKey of 5-iodo-3,6-dimethylpyridin-2-amine?
The InChIKey is LDKCWGCCWUDLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9IN2/c1-4-3-6(8)5(2)10-7(4)9/h3H,1-2H3,(H2,9,10).
What are the key properties of 5-iodo-3,6-dimethylpyridin-2-amine?
5-iodo-3,6-dimethylpyridin-2-amine has a molecular weight of 248.07 g/mol, XLogP of 1.89, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-3,6-dimethylpyridin-2-amine is sourced from PubChem (CID 18380142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).