About nitrite
nitrite (PubChem CID 946) has the molecular formula NO2-
and a molecular weight of 46.01 g/mol. Its IUPAC name is nitrite.
Molecular Properties
| Compound Name | nitrite |
|---|
| PubChem CID | 946 |
|---|
| Molecular Formula | NO2- |
|---|
| Molecular Weight | 46.01 g/mol |
|---|
| Exact Mass | 45.99 |
|---|
| IUPAC Name | nitrite |
|---|
| SMILES | O=N[O-] |
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| InChI | InChI=1S/HNO2/c2-1-3/h(H,2,3)/p-1 |
|---|
| InChIKey | IOVCWXUNBOPUCH-UHFFFAOYSA-M |
|---|
| XLogP | 0.25 |
|---|
| TPSA | 52.49 Ų |
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| H-Bond Donors | |
|---|
| H-Bond Acceptors | 3 |
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| Rotatable Bonds | |
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| Heavy Atoms | 3 |
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| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 46.01 |
| LogP ≤ 5 | 0.25 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'N_oxide', '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 nitrite?
The IUPAC name of nitrite (CID 946) is nitrite.
What is the SMILES notation for nitrite?
The canonical SMILES for nitrite is O=N[O-].
What is the InChIKey of nitrite?
The InChIKey is IOVCWXUNBOPUCH-UHFFFAOYSA-M. The full InChI is InChI=1S/HNO2/c2-1-3/h(H,2,3)/p-1.
What are the key properties of nitrite?
nitrite has a molecular weight of 46.01 g/mol, XLogP of 0.25, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for nitrite is sourced from PubChem (CID 946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).