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Molecule
2,3-Dihydroxypyridine
CAS: 16867-04-2 · C5H5NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 16867-04-2
- Molecular Formula
- C5H5NO2
- Molecular Mass
- 111.10 g/mol
Identifiers
CAS Registry Number
16867-04-2
SMILES
Oc1cccnc1O
InChI Key
GGOZGYRTNQBSSA-UHFFFAOYSA-N
InChI
InChI=1S/C5H5NO2/c7-4-2-1-3-6-5(4)8/h1-3,7H,(H,6,8)
Names and Synonyms
- 2,3-Dihydroxypyridine Systematic Name
- 2(1H)-Pyridinone, 3-hydroxy- Synonym
- 2,3-Pyridinediol Synonym
- 2(1H)-Pyridone, 3-hydroxy- Synonym
- 3-Hydroxy-2(1H)-pyridinone Synonym
- 2,3-Dihydroxypyridine Synonym
- 3-Hydroxy-2-pyridone Synonym
- 3-Hydroxy-1H-pyridin-2-one Synonym
- 3-Hydroxy-2-pyridinone Synonym
- NSC 49272 Synonym
- 3-Hydroxy-1,2-dihydropyridin-2-one Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 111.10 g/mol | CAS Common Chemistry |
| 111.1 g/mol | RDKit | |
| Canonical SMILES | O=C1NC=CC=C1O | CAS Common Chemistry |
| InChI | InChI=1S/C5H5NO2/c7-4-2-1-3-6-5(4)8/h1-3,7H,(H,6,8) | CAS Common Chemistry |
| InChI Key | InChIKey=GGOZGYRTNQBSSA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 248 °C | CAS Common Chemistry |
| Name | 2,3-Dihydroxypyridine | 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 | 53.35000000000001 Ų | RDKit |
| 53.35 Ų | RDKit | |
| 52.82 Ų | chempirical lib | |
| LogP | 0.49279999999999996 | RDKit |
| 0.4928 | RDKit | |
| Molar Refractivity | 27.566599999999994 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 111.0320284 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 111.10 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H5NO2.
