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3-Hydroxy-6-Methyl-2-Pyridinemethanol
CAS: 42097-42-7 | C7H9NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
42097-42-7
Molecular Formula:
C7H9NO2
Molecular Mass:
139.15 g/mol
Names and Synonyms:
3-Hydroxy-6-Methyl-2-Pyridinemethanol
2-Pyridinemethanol, 3-hydroxy-6-methyl-
3-Hydroxy-6-methyl-2-pyridinemethanol
2-(Hydroxymethyl)-6-methyl-3-pyridinol
2-(Hydroxymethyl)-3-hydroxy-6-methylpyridine
6-Methyl-2-(hydroxymethyl)-3-hydroxypyridine
2,6-Lutidine-α2,3-diol
3-Hydroxy-2-(hydroxymethyl)-6-methylpyridine
Identifiers:
SMILES:
Cc1ccc(O)c(CO)n1
InChI:
InChI=1S/C7H9NO2/c1-5-2-3-7(10)6(4-9)8-5/h2-3,9-10H,4H2,1H3
Key Properties
Melting Point
153 °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 | 139.15 g/mol | CAS Common Chemistry |
| 139.154 g/mol | RDKit | |
| 139.063328528 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 |
| LogP | 0.5879199999999998 | RDKit |
| Molar Refractivity | 36.5616 | RDKit |
Related Molecules
Other compounds with formula C7H9NO2
