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2-Amino-6-Methyl-3-Pyridinol
CAS: 20348-16-7 | C6H8N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
20348-16-7
Molecular Formula:
C6H8N2O
Molecular Mass:
124.14 g/mol
Names and Synonyms:
2-Amino-6-Methyl-3-Pyridinol
3-Pyridinol, 2-amino-6-methyl-
2-Amino-6-methyl-3-pyridinol
3-Hydroxy-6-methyl-2-pyridinamine
2-Amino-3-hydroxy-6-methylpyridine
(3-Hydroxy-6-methylpyridin-2-yl)amine
2-Amino-6-methylpyridinyl-3-ol
Identifiers:
SMILES:
Cc1ccc(O)c(N)n1
InChI:
InChI=1S/C6H8N2O/c1-4-2-3-5(9)6(7)8-4/h2-3,9H,1H3,(H2,7,8)
Key Properties
Melting Point
153-154.5 °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 | 124.14 g/mol | CAS Common Chemistry |
| 124.14300000000001 g/mol | RDKit | |
| 124.063662876 g/mol | RDKit | |
| Canonical SMILES | OC=1C=CC(=NC1N)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H8N2O/c1-4-2-3-5(9)6(7)8-4/h2-3,9H,1H3,(H2,7,8) | CAS Common Chemistry |
| InChI Key | InChIKey=WJRVHFJZHFWCMS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 153-154.5 °C | CAS Common Chemistry |
| Name | 2-Amino-6-methyl-3-pyridinol | CAS Common Chemistry |
| Heavy Atom Count | 9 | 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 |
| LogP | 0.6778199999999999 | RDKit |
| Molar Refractivity | 35.05119999999999 | RDKit |
