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Molecule
3-Fluoro-4-Pyridinol
CAS: 22282-73-1 · C5H4FNO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 22282-73-1
- Molecular Formula
- C5H4FNO
- Molecular Mass
- 113.09 g/mol
Identifiers
CAS Registry Number
22282-73-1
SMILES
O=c1cc[nH]cc1F
InChI Key
HTXNVGYNXOGIQZ-UHFFFAOYSA-N
InChI
InChI=1S/C5H4FNO/c6-4-3-7-2-1-5(4)8/h1-3H,(H,7,8)
Names and Synonyms
- 3-Fluoro-4-Pyridinol Systematic Name
- 4-Pyridinol, 3-fluoro- Synonym
- 3-Fluoro-4-pyridinol Synonym
- 3-Fluoropyridin-4-ol Synonym
- 3-Fluoro-1H-pyridin-4-one Synonym
- 3-Fluoro-4-hydroxypyridine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 113.09 g/mol | CAS Common Chemistry |
| 113.091 g/mol | RDKit | |
| Canonical SMILES | FC=1C=NC=CC1O | CAS Common Chemistry |
| InChI | InChI=1S/C5H4FNO/c6-4-3-7-2-1-5(4)8/h1-3H,(H,7,8) | CAS Common Chemistry |
| InChI Key | InChIKey=HTXNVGYNXOGIQZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 153 °C | CAS Common Chemistry |
| Name | 3-Fluoro-4-pyridinol | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 32.86 Ų | RDKit |
| LogP | 0.514 | RDKit |
| Molar Refractivity | 27.020699999999998 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...
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200 ppm
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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 = 113.09 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H4FNO.
