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5-Methyl-2-Pyridinol
CAS: 91914-06-6 | C6H7NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
91914-06-6
Molecular Formula:
C6H7NO
Molecular Mass:
109.13 g/mol
Names and Synonyms:
5-Methyl-2-Pyridinol
2-Pyridinol, 5-methyl-
5-Methyl-2-pyridinol
Identifiers:
SMILES:
Cc1ccc(O)nc1
InChI:
InChI=1S/C6H7NO/c1-5-2-3-6(8)7-4-5/h2-4H,1H3,(H,7,8)
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 109.13 g/mol | CAS Common Chemistry |
| 109.128 g/mol | RDKit | |
| 109.052763844 g/mol | RDKit | |
| Canonical SMILES | OC1=NC=C(C=C1)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 |
| Name | 5-Methyl-2-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 |
| LogP | 1.0956199999999998 | RDKit |
| Molar Refractivity | 30.638799999999993 | RDKit |
