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Molecule
2-Amino-3-Hydroxypyridine
CAS: 16867-03-1 · C5H6N2O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 16867-03-1
- Molecular Formula
- C5H6N2O
- Molecular Mass
- 110.12 g/mol
Identifiers
CAS Registry Number
16867-03-1
SMILES
Nc1ncccc1O
InChI Key
BMTSZVZQNMNPCT-UHFFFAOYSA-N
InChI
InChI=1S/C5H6N2O/c6-5-4(8)2-1-3-7-5/h1-3,8H,(H2,6,7)
Names and Synonyms
- 2-Amino-3-Hydroxypyridine Systematic Name
- 3-Pyridinol, 2-amino- Synonym
- 2-Amino-3-pyridinol Synonym
- 2-Amino-3-hydroxypyridine Synonym
- 3-Hydroxy-2-pyridinamine Synonym
- 3-Hydroxy-2-aminopyridine Synonym
- NSC 136806 Synonym
- 3-Hydroxypyridine-2-amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 110.12 g/mol | CAS Common Chemistry |
| 110.11599999999997 g/mol | RDKit | |
| 110.116 g/mol | RDKit | |
| Canonical SMILES | OC1=CC=CN=C1N | CAS Common Chemistry |
| InChI | InChI=1S/C5H6N2O/c6-5-4(8)2-1-3-7-5/h1-3,8H,(H2,6,7) | CAS Common Chemistry |
| InChI Key | InChIKey=BMTSZVZQNMNPCT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 167-170 °C | CAS Common Chemistry |
| Name | 2-Amino-3-hydroxypyridine | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 59.14 Ų | RDKit |
| 58.61 Ų | chempirical lib | |
| LogP | 0.3694 | RDKit |
| Molar Refractivity | 30.3142 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 110.048012812 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
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5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 110.12 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H6N2O.
