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2-Amino-3-Hydroxypyridine
CAS: 16867-03-1 | C5H6N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
16867-03-1
Molecular Formula:
C5H6N2O
Molecular Mass:
110.12 g/mol
Names and Synonyms:
2-Amino-3-Hydroxypyridine
3-Pyridinol, 2-amino-
2-Amino-3-pyridinol
2-Amino-3-hydroxypyridine
3-Hydroxy-2-pyridinamine
3-Hydroxy-2-aminopyridine
NSC 136806
3-Hydroxypyridine-2-amine
Identifiers:
SMILES:
Nc1ncccc1O
InChI:
InChI=1S/C5H6N2O/c6-5-4(8)2-1-3-7-5/h1-3,8H,(H2,6,7)
Key Properties
Melting Point
167-170 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 110.12 g/mol | CAS Common Chemistry |
| 110.11599999999997 g/mol | RDKit | |
| 110.048012812 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 |
| 3 | chempirical lib | |
| 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 |
| -0.07 | chempirical lib | |
| Molar Refractivity | 30.3142 | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
Related Molecules
Other compounds with formula C5H6N2O
