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5-Hydroxy-2(1H)-Pyridinone
CAS: 5154-01-8 | C5H5NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5154-01-8
Molecular Formula:
C5H5NO2
Molecular Mass:
111.10 g/mol
Names and Synonyms:
5-Hydroxy-2(1H)-Pyridinone
2(1H)-Pyridinone, 5-hydroxy-
2,5-Pyridinediol
2(1H)-Pyridone, 5-hydroxy-
5-Hydroxy-2(1H)-pyridinone
2,5-Dihydroxypyridine
5-Hydroxy-2-pyridone
6-Hydroxy-3-pyridinol
NSC 224189
Identifiers:
SMILES:
Oc1ccc(O)nc1
InChI:
InChI=1S/C5H5NO2/c7-4-1-2-5(8)6-3-4/h1-3,7H,(H,6,8)
Key Properties
Melting Point
240-250 °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 | 111.10 g/mol | CAS Common Chemistry |
| 111.1 g/mol | RDKit | |
| 111.0320284 g/mol | RDKit | |
| Canonical SMILES | O=C1C=CC(O)=CN1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H5NO2/c7-4-1-2-5(8)6-3-4/h1-3,7H,(H,6,8) | CAS Common Chemistry |
| InChI Key | InChIKey=CHGPEDOMXOLANF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 240-250 °C (decomp) | CAS Common Chemistry |
| Name | 5-Hydroxy-2(1H)-pyridinone | CAS Common Chemistry |
| Heavy Atom Count | 8 | 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 | 0.4928000000000002 | RDKit |
| Molar Refractivity | 27.566599999999998 | RDKit |
