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4-Hydroxy-6-Methyl-2(1H)-Pyridinone
CAS: 3749-51-7 | C6H7NO2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
3749-51-7
Molecular Formula:
C6H7NO2
Molecular Mass:
125.13 g/mol
Names and Synonyms:
4-Hydroxy-6-Methyl-2(1H)-Pyridinone
2(1H)-Pyridinone, 4-hydroxy-6-methyl-
2(1H)-Pyridone, 4-hydroxy-6-methyl-
4-Hydroxy-6-methyl-2(1H)-pyridinone
4-Hydroxy-6-methyl-2-pyridone
2-Picoline-4,6-diol
4-Hydroxy-6-methyl-2(1H)-pyridone
2,4-Dihydroxy-6-methylpyridine
NSC 110283
4-Hydroxy-6-methyl-1H-pyridin-2-one
4-Hydroxy-6-methylpyridin-2(1H)-one
Identifiers:
SMILES:
Cc1cc(O)cc(O)n1
InChI:
InChI=1S/C6H7NO2/c1-4-2-5(8)3-6(9)7-4/h2-3H,1H3,(H2,7,8,9)
Key Properties
Melting Point
320 °C (decomp)
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 | 125.13 g/mol | CAS Common Chemistry |
| 125.12699999999998 g/mol | RDKit | |
| 125.047678464 g/mol | RDKit | |
| Canonical SMILES | O=C1C=C(O)C=C(N1)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H7NO2/c1-4-2-5(8)3-6(9)7-4/h2-3H,1H3,(H2,7,8,9) | CAS Common Chemistry |
| InChI Key | InChIKey=WKGSLYHMRQRARV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 320 °C (decomp) | CAS Common Chemistry |
| Name | 4-Hydroxy-6-methyl-2(1H)-pyridinone | 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 | 53.35 Ų | RDKit |
| LogP | 0.8012199999999996 | RDKit |
| Molar Refractivity | 32.303599999999996 | RDKit |
