About 2,4-dibromo-5-hydrazinylphenol
2,4-dibromo-5-hydrazinylphenol (PubChem CID 139823045) has the molecular formula C6H6Br2N2O
and a molecular weight of 281.94 g/mol. Its IUPAC name is 2,4-dibromo-5-hydrazinylphenol.
Molecular Properties
| Compound Name | 2,4-dibromo-5-hydrazinylphenol |
| PubChem CID | 139823045 |
| Molecular Formula | C6H6Br2N2O |
| Molecular Weight | 281.94 g/mol |
| Exact Mass | 279.88 |
| IUPAC Name | 2,4-dibromo-5-hydrazinylphenol |
| SMILES | NNc1cc(O)c(Br)cc1Br |
| InChI | InChI=1S/C6H6Br2N2O/c7-3-1-4(8)6(11)2-5(3)10-9/h1-2,10-11H,9H2 |
| InChIKey | GYBSDTCGPMXCLU-UHFFFAOYSA-N |
| XLogP | 2.20 |
| TPSA | 58.28 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Heavy Atoms | 11 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 281.94 |
| LogP ≤ 5 | 2.20 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2,4-dibromo-5-hydrazinylphenol?
The IUPAC name of 2,4-dibromo-5-hydrazinylphenol (CID 139823045) is 2,4-dibromo-5-hydrazinylphenol.
What is the SMILES notation for 2,4-dibromo-5-hydrazinylphenol?
The canonical SMILES for 2,4-dibromo-5-hydrazinylphenol is NNc1cc(O)c(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-5-hydrazinylphenol?
The InChIKey is GYBSDTCGPMXCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Br2N2O/c7-3-1-4(8)6(11)2-5(3)10-9/h1-2,10-11H,9H2.
What are the key properties of 2,4-dibromo-5-hydrazinylphenol?
2,4-dibromo-5-hydrazinylphenol has a molecular weight of 281.94 g/mol, XLogP of 2.20, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-5-hydrazinylphenol is sourced from PubChem (CID 139823045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).