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Molecule
2-Fluoro-3-Pyridinol
CAS: 174669-74-0 · C5H4FNO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 174669-74-0
- Molecular Formula
- C5H4FNO
- Molecular Mass
- 113.09 g/mol
Identifiers
CAS Registry Number
174669-74-0
SMILES
Oc1cccnc1F
InChI Key
UEQRKEWMEMJXQO-UHFFFAOYSA-N
InChI
InChI=1S/C5H4FNO/c6-5-4(8)2-1-3-7-5/h1-3,8H
Names and Synonyms
- 2-Fluoro-3-Pyridinol Synonym
- 3-Pyridinol, 2-fluoro- Synonym
- 2-Fluoro-3-pyridinol Synonym
- 2-Fluoro-3-hydroxypyridine 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 | FC1=NC=CC=C1O | CAS Common Chemistry |
| InChI | InChI=1S/C5H4FNO/c6-5-4(8)2-1-3-7-5/h1-3,8H | CAS Common Chemistry |
| InChI Key | InChIKey=UEQRKEWMEMJXQO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 125-126 °C | CAS Common Chemistry |
| Name | 2-Fluoro-3-pyridinol | 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 | 25.859799999999996 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 |
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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.
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.
