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6-Hydroxy-4-Methyl-2-Pyridone
CAS: 4664-16-8 | C6H7NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4664-16-8
Molecular Formula:
C6H7NO2
Molecular Mass:
125.13 g/mol
Names and Synonyms:
6-Hydroxy-4-Methyl-2-Pyridone
2(1H)-Pyridinone, 6-hydroxy-4-methyl-
2,6-Pyridinediol, 4-methyl-
6-Hydroxy-4-methyl-2(1H)-pyridinone
4-Picoline-2,6-diol
4-Methyl-6-hydroxypyrid-2-one
2,6-Dihydroxy-4-methylpyridine
4-Methyl-2,6-pyridinediol
6-Hydroxy-4-methyl-2-pyridone
2-Hydroxy-4-methyl-6-pyridinone
NSC 110280
Identifiers:
SMILES:
Cc1cc(O)nc(O)c1
InChI:
InChI=1S/C6H7NO2/c1-4-2-5(8)7-6(9)3-4/h2-3H,1H3,(H2,7,8,9)
Key Properties
Melting Point
194 °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 | 125.13 g/mol | CAS Common Chemistry |
| 125.12699999999998 g/mol | RDKit | |
| 125.047678464 g/mol | RDKit | |
| Canonical SMILES | O=C1C=C(C=C(O)N1)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H7NO2/c1-4-2-5(8)7-6(9)3-4/h2-3H,1H3,(H2,7,8,9) | CAS Common Chemistry |
| InChI Key | InChIKey=JJHVYGVVMBYCMQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 194 °C | CAS Common Chemistry |
| Name | 6-Hydroxy-4-methyl-2-pyridone | 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 | 53.35000000000001 Ų | RDKit |
| LogP | 0.8012199999999998 | RDKit |
| Molar Refractivity | 32.303599999999996 | RDKit |
