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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 Weight:
125.12699999999998 g/mol
Names and Synonyms:
6-Hydroxy-4-Methyl-2-Pyridone
NSC 110280
2-Hydroxy-4-methyl-6-pyridinone
6-Hydroxy-4-methyl-2-pyridone
4-Methyl-2,6-pyridinediol
2,6-Dihydroxy-4-methylpyridine
4-Methyl-6-hydroxypyrid-2-one
4-Picoline-2,6-diol
6-Hydroxy-4-methyl-2(1H)-pyridinone
2,6-Pyridinediol, 4-methyl-
2(1H)-Pyridinone, 6-hydroxy-4-methyl-
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)
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 125.13 g/mol | Legacy Database |
| cas-canonical-smile | O=C1C=C(C=C(O)N1)C None | Legacy Database |
| cas-inchi | InChI=1S/C6H7NO2/c1-4-2-5(8)7-6(9)3-4/h2-3H,1H3,(H2,7,8,9) None | Legacy Database |
| cas-inchi-key | InChIKey=JJHVYGVVMBYCMQ-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 194 °C None | Legacy Database |
| cas-name | 6-Hydroxy-4-methyl-2-pyridone None | Legacy Database |
| LogP | 0.8012199999999998 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 125.12699999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 125.047678464 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 53.35000000000001 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 32.303599999999996 | RDKit |
