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Molecule
5-Fluoro-2(1H)-Pyridinone
CAS: 51173-05-8 · C5H4FNO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 51173-05-8
- Molecular Formula
- C5H4FNO
- Molecular Mass
- 113.09 g/mol
Identifiers
CAS Registry Number
51173-05-8
SMILES
Oc1ccc(F)cn1
InChI Key
KLULSYPVWLJZAO-UHFFFAOYSA-N
InChI
InChI=1S/C5H4FNO/c6-4-1-2-5(8)7-3-4/h1-3H,(H,7,8)
Names and Synonyms
- 5-Fluoro-2(1H)-Pyridinone Systematic Name
- 2(1H)-Pyridinone, 5-fluoro- Synonym
- 5-Fluoro-2(1H)-pyridinone Synonym
- 5-Fluoro-2-pyridone Synonym
- 5-Fluoro-2-hydroxypyridine Synonym
- 5-Fluoro-2-pyridinone Synonym
- 5-Fluoropyridin-2-ol Synonym
- 2-Hydroxy-5-fluoropyridine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 113.09 g/mol | CAS Common Chemistry |
| 113.09100000000001 g/mol | RDKit | |
| 113.091 g/mol | RDKit | |
| Canonical SMILES | O=C1C=CC(F)=CN1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H4FNO/c6-4-1-2-5(8)7-3-4/h1-3H,(H,7,8) | CAS Common Chemistry |
| InChI Key | InChIKey=KLULSYPVWLJZAO-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 5-Fluoro-2(1H)-pyridinone | CAS Common Chemistry |
| Heavy Atom Count | 8 | 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 | 0.9262999999999999 | RDKit |
| 0.9263 | RDKit | |
| Molar Refractivity | 25.859799999999993 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 113.027691968 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 |
|---|
200 ppm
180
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0 ppm
| 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.
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MW = 113.09 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H4FNO.
