×
![]()
Chemical Molecules
Molecule Details
| Molecule ID | MOL82 | ||
| Compound Name | 2-Aminopyridine N-oxide | ||
| ⤓Download 2D Structure File | ⤓Download 3D Structure File | View Structure Image |
Structure Image
|
Primary Details
| Compound Name | 2-Aminopyridine N-oxide |
| Synonym Name | 2-Aminopyridine N-oxide, 14150-95-9, 2-Pyridinamine, 1-oxide, 2-Aminopyridine 1-oxide, 1-hydroxypyridin-2-imine |
| CAS ID | 14150-95-9 |
| IUPAC Name | 1-hydroxypyridin-2-imine |
| Molecular Formula | C5H6N2O |
| Chemical Safety | Irritant |
| External Database ID |
139694 |
| Inchi | InChI=1S/C5H6N2O/c6-5-3-1-2-4-7(5)8/h1-4,6,8H |
| INCHI Key | KTPMVZCGIJJWCD-UHFFFAOYSA-N |
| Canonical SMILES | C1=CC(=N)N(C=C1)O |
| Molecule Type | Natural |
| Group | Phytochemicals |
| Sub-Group 1 | - |
| Sub-Group 2 | - |
| Sub-Group 3 | - |
| Sub-Group 4 | - |
| Sub-Group 5 | - |
| Description |
|
Chemical & Physical Properties
| Molecular Weight | 110.11Â g/mol |
| LogP (Octanol-Water) | 0 |
| Hydrogen Donor Count | 2 |
| Bond Acceptor Count | 2 |
| Rotable Bond Count | 0 |
| Topological Surface Area | 47.3 Ų |
| Heavy Atom Count | 8 |
| Melting Point | |
| Boiling Point | |
| Water Solubility | |
| Henry's Law Constant | |
| pKa Dissociation Constant | pka=2.67 |
| Vapour Pressure | |
| Molecule Density | |
| Molecule Stability | |
| Kovats retention Index | |
| Physical Description |
|
Spectra Information
Biological Activities
| Activity Name | |
| Molecule Target | |
| Comment |
|
| References |
1. Xiong, G., Wu, Z., Yi, J., Fu, L., Yang, Z., Hsieh, C., ... & Cao, D. (2021). ADMETlab 2.0: an integrated online platform for accurate and comprehensive predictions of ADMET properties. Nucleic acids research, 49(W1), W5-W14. 2. Kim, S., Chen, J., Cheng, T., Gindulyte, A., He, J., He, S., ... & Bolton, E. E. (2019). PubChem 2019 update: improved access to chemical data. Nucleic acids research, 47(D1), D1102-D1109. |