About 2-azidopropane-1,3-diol
2-azidopropane-1,3-diol (PubChem CID 20578392) has the molecular formula C3H7N3O2
and a molecular weight of 117.11 g/mol. Its IUPAC name is 2-azidopropane-1,3-diol.
Molecular Properties
| Compound Name | 2-azidopropane-1,3-diol |
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| PubChem CID | 20578392 |
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| Molecular Formula | C3H7N3O2 |
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| Molecular Weight | 117.11 g/mol |
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| Exact Mass | 117.05 |
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| IUPAC Name | 2-azidopropane-1,3-diol |
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| SMILES | [N-]=[N+]=NC(CO)CO |
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| InChI | InChI=1S/C3H7N3O2/c4-6-5-3(1-7)2-8/h3,7-8H,1-2H2 |
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| InChIKey | FSKJVNDEVKJKAS-UHFFFAOYSA-N |
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| XLogP | -0.35 |
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| TPSA | 89.22 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 3 |
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| Heavy Atoms | 8 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 117.11 |
| LogP ≤ 5 | -0.35 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-azidopropane-1,3-diol?
The IUPAC name of 2-azidopropane-1,3-diol (CID 20578392) is 2-azidopropane-1,3-diol.
What is the SMILES notation for 2-azidopropane-1,3-diol?
The canonical SMILES for 2-azidopropane-1,3-diol is [N-]=[N+]=NC(CO)CO.
What is the InChIKey of 2-azidopropane-1,3-diol?
The InChIKey is FSKJVNDEVKJKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N3O2/c4-6-5-3(1-7)2-8/h3,7-8H,1-2H2.
What are the key properties of 2-azidopropane-1,3-diol?
2-azidopropane-1,3-diol has a molecular weight of 117.11 g/mol, XLogP of -0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azidopropane-1,3-diol is sourced from PubChem (CID 20578392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).