About 4-bromo-2H-triazolo[4,5-c]pyridine
4-bromo-2H-triazolo[4,5-c]pyridine (PubChem CID 83681327) has the molecular formula C5H3BrN4
and a molecular weight of 199.01 g/mol. Its IUPAC name is 4-bromo-2H-triazolo[4,5-c]pyridine.
Molecular Properties
| Compound Name | 4-bromo-2H-triazolo[4,5-c]pyridine |
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| PubChem CID | 83681327 |
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| Molecular Formula | C5H3BrN4 |
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| Molecular Weight | 199.01 g/mol |
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| Exact Mass | 197.95 |
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| IUPAC Name | 4-bromo-2H-triazolo[4,5-c]pyridine |
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| SMILES | Brc1nccc2n[nH]nc12 |
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| InChI | InChI=1S/C5H3BrN4/c6-5-4-3(1-2-7-5)8-10-9-4/h1-2H,(H,8,9,10) |
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| InChIKey | JTBULDQWNXQQCY-UHFFFAOYSA-N |
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| XLogP | 1.12 |
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| TPSA | 54.46 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 3 |
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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 |
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| MW ≤ 500 | 199.01 |
| LogP ≤ 5 | 1.12 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 4-bromo-2H-triazolo[4,5-c]pyridine?
The IUPAC name of 4-bromo-2H-triazolo[4,5-c]pyridine (CID 83681327) is 4-bromo-2H-triazolo[4,5-c]pyridine.
What is the SMILES notation for 4-bromo-2H-triazolo[4,5-c]pyridine?
The canonical SMILES for 4-bromo-2H-triazolo[4,5-c]pyridine is Brc1nccc2n[nH]nc12.
What is the InChIKey of 4-bromo-2H-triazolo[4,5-c]pyridine?
The InChIKey is JTBULDQWNXQQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrN4/c6-5-4-3(1-2-7-5)8-10-9-4/h1-2H,(H,8,9,10).
What are the key properties of 4-bromo-2H-triazolo[4,5-c]pyridine?
4-bromo-2H-triazolo[4,5-c]pyridine has a molecular weight of 199.01 g/mol, XLogP of 1.12, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2H-triazolo[4,5-c]pyridine is sourced from PubChem (CID 83681327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).