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Molecule
2-Amino-6-Methyl-3-Pyridinol
CAS: 20348-16-7 · C6H8N2O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 20348-16-7
- Molecular Formula
- C6H8N2O
- Molecular Mass
- 124.14 g/mol
Identifiers
CAS Registry Number
20348-16-7
SMILES
Cc1ccc(O)c(N)n1
InChI Key
WJRVHFJZHFWCMS-UHFFFAOYSA-N
InChI
InChI=1S/C6H8N2O/c1-4-2-3-5(9)6(7)8-4/h2-3,9H,1H3,(H2,7,8)
Names and Synonyms
- 2-Amino-6-Methyl-3-Pyridinol Synonym
- 3-Pyridinol, 2-amino-6-methyl- Synonym
- 2-Amino-6-methyl-3-pyridinol Synonym
- 3-Hydroxy-6-methyl-2-pyridinamine Synonym
- 2-Amino-3-hydroxy-6-methylpyridine Synonym
- (3-Hydroxy-6-methylpyridin-2-yl)amine Synonym
- 2-Amino-6-methylpyridinyl-3-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 124.14 g/mol | CAS Common Chemistry |
| 124.14300000000001 g/mol | RDKit | |
| 124.143 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 |
| 58.61 Ų | chempirical lib | |
| LogP | 0.6778199999999999 | RDKit |
| 0.6778 | RDKit | |
| Molar Refractivity | 35.05119999999999 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1667 | RDKit |
| 0.17 | chempirical lib | |
| Exact Mass | 124.063662876 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 124.14 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H8N2O.
