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Molecule
5-Hydroxy-2-Methylpyridine
CAS: 1121-78-4 · C6H7NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1121-78-4
- Molecular Formula
- C6H7NO
- Molecular Mass
- 109.13 g/mol
Identifiers
CAS Registry Number
1121-78-4
SMILES
Cc1ccc(O)cn1
InChI Key
DHLUJPLHLZJUBW-UHFFFAOYSA-N
InChI
InChI=1S/C6H7NO/c1-5-2-3-6(8)4-7-5/h2-4,8H,1H3
Names and Synonyms
- 5-Hydroxy-2-Methylpyridine Synonym
- 3-Pyridinol, 6-methyl- Synonym
- 3-Pyridol, 6-methyl- Synonym
- 6-Methyl-3-pyridinol Synonym
- 6-Methyl-3-hydroxypyridine Synonym
- 3-Hydroxy-6-methylpyridine Synonym
- 2-Methyl-5-hydroxypyridine Synonym
- 5-Hydroxy-2-methylpyridine Synonym
- 2-Methyl-5-pyridinol Synonym
- 5-Hydroxy-2-picoline Synonym
- NSC 27963 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 | OC1=CN=C(C=C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H7NO/c1-5-2-3-6(8)4-7-5/h2-4,8H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=DHLUJPLHLZJUBW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 165-167 °C | CAS Common Chemistry |
| Name | 5-Hydroxy-2-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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2
1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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
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MW = 109.13 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H7NO.
