Back to Search
Molecule
3-Methoxy-2(1H)-Pyridinone
CAS: 20928-63-6 · C6H7NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 20928-63-6
- Molecular Formula
- C6H7NO2
- Molecular Mass
- 125.13 g/mol
Identifiers
CAS Registry Number
20928-63-6
SMILES
COc1cccnc1O
InChI Key
LKIMDXQLHFCXQF-UHFFFAOYSA-N
InChI
InChI=1S/C6H7NO2/c1-9-5-3-2-4-7-6(5)8/h2-4H,1H3,(H,7,8)
Names and Synonyms
- 3-Methoxy-2(1H)-Pyridinone Synonym
- 2(1H)-Pyridinone, 3-methoxy- Synonym
- 2(1H)-Pyridone, 3-methoxy- Synonym
- 3-Methoxy-2(1H)-pyridinone Synonym
- 3-Methoxy-2(1H)-pyridone Synonym
- 3-Methoxy-2-pyridone Synonym
- 3-Methoxy-2-pyridinol Synonym
- 2-Hydroxy-3-methoxypyridine Synonym
- NSC 282188 Synonym
- 3-Methoxy-1H-pyridin-2-one Synonym
- 3-(Methyloxy)-2(1H)-pyridinone Synonym
- 3-Methoxy-2-hydroxypyridine Synonym
- 3-Methoxy-1,2-dihydropyridin-2-one Synonym
- 3-Methoxypyridin-2(1H)-one Synonym
- 3-Methoxypyridin-2-one Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 125.13 g/mol | CAS Common Chemistry |
| 125.12699999999998 g/mol | RDKit | |
| 125.127 g/mol | RDKit | |
| Canonical SMILES | O=C1NC=CC=C1OC | CAS Common Chemistry |
| InChI | InChI=1S/C6H7NO2/c1-9-5-3-2-4-7-6(5)8/h2-4H,1H3,(H,7,8) | CAS Common Chemistry |
| InChI Key | InChIKey=LKIMDXQLHFCXQF-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 3-Methoxy-2(1H)-pyridinone | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 42.35 Ų | RDKit |
| 41.82 Ų | chempirical lib | |
| LogP | 0.7957999999999998 | RDKit |
| 0.7958 | RDKit | |
| Molar Refractivity | 32.453799999999994 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1667 | RDKit |
| 0.17 | chempirical lib | |
| Exact Mass | 125.047678464 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 125.13 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H7NO2.
