About 3-iodo-2H-pyrazolo[4,3-c]pyridine
3-iodo-2H-pyrazolo[4,3-c]pyridine (PubChem CID 21048666) has the molecular formula C6H4IN3
and a molecular weight of 245.02 g/mol. Its IUPAC name is 3-iodo-2H-pyrazolo[4,3-c]pyridine.
Molecular Properties
| Compound Name | 3-iodo-2H-pyrazolo[4,3-c]pyridine |
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| PubChem CID | 21048666 |
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| Molecular Formula | C6H4IN3 |
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| Molecular Weight | 245.02 g/mol |
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| Exact Mass | 244.94 |
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| IUPAC Name | 3-iodo-2H-pyrazolo[4,3-c]pyridine |
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| SMILES | Ic1[nH]nc2ccncc12 |
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| InChI | InChI=1S/C6H4IN3/c7-6-4-3-8-2-1-5(4)9-10-6/h1-3H,(H,9,10) |
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| InChIKey | WYDDPSSJPZWUKY-UHFFFAOYSA-N |
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| XLogP | 1.56 |
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| TPSA | 41.57 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 | 245.02 |
| LogP ≤ 5 | 1.56 |
| 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 3-iodo-2H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 3-iodo-2H-pyrazolo[4,3-c]pyridine (CID 21048666) is 3-iodo-2H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-iodo-2H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-iodo-2H-pyrazolo[4,3-c]pyridine is Ic1[nH]nc2ccncc12.
What is the InChIKey of 3-iodo-2H-pyrazolo[4,3-c]pyridine?
The InChIKey is WYDDPSSJPZWUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4IN3/c7-6-4-3-8-2-1-5(4)9-10-6/h1-3H,(H,9,10).
What are the key properties of 3-iodo-2H-pyrazolo[4,3-c]pyridine?
3-iodo-2H-pyrazolo[4,3-c]pyridine has a molecular weight of 245.02 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-2H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 21048666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).