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Molecule
2-Pyridone
CAS: 142-08-5 · C5H5NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 142-08-5
- Molecular Formula
- C5H5NO
- Molecular Mass
- 95.10 g/mol
Identifiers
CAS Registry Number
142-08-5
SMILES
Oc1ccccn1
InChI Key
UBQKCCHYAOITMY-UHFFFAOYSA-N
InChI
InChI=1S/C5H5NO/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)
Names and Synonyms
- 2-Pyridone Systematic Name
- 2(1H)-Pyridinone Synonym
- 2(1H)-Pyridone Synonym
- 2-Pyridol Synonym
- 2-Pyridone Synonym
- α-Pyridone Synonym
- 2-Oxopyridine Synonym
- 2-Hydroxypyridine Synonym
- 2-Pyridinol Synonym
- 2-Pyridinone Synonym
- 1,2-Dihydro-2-oxopyridine Synonym
- 1H-2-Pyridone Synonym
- α-Hydroxypyridine Synonym
- 1H-Pyridin-2-one Synonym
- NSC 172522 Synonym
- Pyridin-2-one Synonym
- 1,2-Dihydropyridin-2-one Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 95.10 g/mol | CAS Common Chemistry |
| 95.101 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2-Pyridone | CAS Common Chemistry |
| Boiling Point | 280 °C | CAS Common Chemistry |
| Canonical SMILES | O=C1C=CC=CN1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H5NO/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7) | CAS Common Chemistry |
| InChI Key | InChIKey=UBQKCCHYAOITMY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 107.8 °C | CAS Common Chemistry |
| Name | 2-Pyridone | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 33.120000000000005 Ų | RDKit |
| 33.12 Ų | RDKit | |
| 32.59 Ų | chempirical lib | |
| LogP | 0.7871999999999999 | RDKit |
| 0.7872 | RDKit | |
| Molar Refractivity | 25.90179999999999 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 95.03711378 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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
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MW = 95.10 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H5NO.
