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Molecule
3-Hydroxypyridine
CAS: 109-00-2 · C5H5NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 109-00-2
- Molecular Formula
- C5H5NO
- Molecular Mass
- 95.10 g/mol
Identifiers
CAS Registry Number
109-00-2
SMILES
Oc1cccnc1
InChI Key
GRFNBEZIAWKNCO-UHFFFAOYSA-N
InChI
InChI=1S/C5H5NO/c7-5-2-1-3-6-4-5/h1-4,7H
Names and Synonyms
- 3-Hydroxypyridine Synonym
- 3-Pyridinol Synonym
- 3-Hydroxypyridine Synonym
- 3-Pyridol Synonym
- β-Hydroxypyridine Synonym
- m-Hydroxypyridine Synonym
- 3-Pyridyl alcohol Synonym
- NSC 18470 Synonym
- β-Pyridinone Synonym
- 3(?H)-Pyridinone 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 | |
| Canonical SMILES | OC=1C=NC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H5NO/c7-5-2-1-3-6-4-5/h1-4,7H | CAS Common Chemistry |
| InChI Key | InChIKey=GRFNBEZIAWKNCO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 127.5 °C | CAS Common Chemistry |
| Name | 3-Hydroxypyridine | 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 | 25.901799999999994 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
9
8
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5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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.
