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Molecule
3-Hydroxy-6-Methyl-2-Pyridinemethanol
CAS: 42097-42-7 · C7H9NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 42097-42-7
- Molecular Formula
- C7H9NO2
- Molecular Mass
- 139.15 g/mol
Identifiers
CAS Registry Number
42097-42-7
SMILES
Cc1ccc(O)c(CO)n1
InChI Key
PAGTXDLKXRBHFL-UHFFFAOYSA-N
InChI
InChI=1S/C7H9NO2/c1-5-2-3-7(10)6(4-9)8-5/h2-3,9-10H,4H2,1H3
Names and Synonyms
- 3-Hydroxy-6-Methyl-2-Pyridinemethanol Systematic Name
- 2-Pyridinemethanol, 3-hydroxy-6-methyl- Synonym
- 3-Hydroxy-6-methyl-2-pyridinemethanol Synonym
- 2-(Hydroxymethyl)-6-methyl-3-pyridinol Synonym
- 2-(Hydroxymethyl)-3-hydroxy-6-methylpyridine Synonym
- 6-Methyl-2-(hydroxymethyl)-3-hydroxypyridine Synonym
- 2,6-Lutidine-α2,3-diol Synonym
- 3-Hydroxy-2-(hydroxymethyl)-6-methylpyridine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 139.15 g/mol | CAS Common Chemistry |
| 139.154 g/mol | RDKit | |
| Canonical SMILES | OC1=CC=C(N=C1CO)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H9NO2/c1-5-2-3-7(10)6(4-9)8-5/h2-3,9-10H,4H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=PAGTXDLKXRBHFL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 153 °C | CAS Common Chemistry |
| Name | 3-Hydroxy-6-methyl-2-pyridinemethanol | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 53.35 Ų | RDKit |
| 52.82 Ų | chempirical lib | |
| LogP | 0.5879199999999998 | RDKit |
| 0.5879 | RDKit | |
| Molar Refractivity | 36.5616 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2857 | RDKit |
| 0.29 | chempirical lib | |
| Exact Mass | 139.063328528 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
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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.
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MW = 139.15 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H9NO2.
