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2-Hydroxy-5-Methylpyridine
CAS: 1003-68-5 | C6H7NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1003-68-5
- Molecular Formula
- C6H7NO
- Molecular Mass
- 109.13 g/mol
Identifiers
CAS Registry Number
1003-68-5
SMILES
Cc1ccc(O)nc1
InChI Key
SOHMZGMHXUQHGE-UHFFFAOYSA-N
InChI
InChI=1S/C6H7NO/c1-5-2-3-6(8)7-4-5/h2-4H,1H3,(H,7,8)
Names and Synonyms
- 2-Hydroxy-5-Methylpyridine Systematic Name
- 2(1H)-Pyridinone, 5-methyl- Synonym
- 2(1H)-Pyridone, 5-methyl- Synonym
- 5-Methyl-2(1H)-pyridinone Synonym
- 5-Methyl-2-pyridone Synonym
- 5-Methyl-2(1H)-pyridone Synonym
- 5-Methyl-2-pyridinol Synonym
- 2-Hydroxy-5-methylpyridine Synonym
- 3-Methyl-6-hydroxypyridine Synonym
- 5-Methyl-2-oxopyridine Synonym
- 5-Methyl-2-hydroxypyridine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 109.13 g/mol | CAS Common Chemistry |
| 109.128 g/mol | RDKit | |
| Canonical SMILES | O=C1C=CC(=CN1)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H7NO/c1-5-2-3-6(8)7-4-5/h2-4H,1H3,(H,7,8) | CAS Common Chemistry |
| InChI Key | InChIKey=SOHMZGMHXUQHGE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 182-183 °C | CAS Common Chemistry |
| Name | 2-Hydroxy-5-methylpyridine | 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 | 1.0956199999999998 | RDKit |
| 1.0956 | RDKit | |
| Molar Refractivity | 30.638799999999993 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1667 | RDKit |
| 0.17 | chempirical lib | |
| Exact Mass | 109.052763844 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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4
3
2
1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
140
120
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80
60
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20
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
Related
Related molecules
Other compounds with formula C6H7NO.
