Back to Search
Molecule
6-Methyl-2-Pyridinemethanol
CAS: 1122-71-0 · C7H9NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1122-71-0
- Molecular Formula
- C7H9NO
- Molecular Mass
- 123.16 g/mol
Identifiers
CAS Registry Number
1122-71-0
SMILES
Cc1cccc(CO)n1
InChI Key
JLVBSBMJQUMAMW-UHFFFAOYSA-N
InChI
InChI=1S/C7H9NO/c1-6-3-2-4-7(5-9)8-6/h2-4,9H,5H2,1H3
Names and Synonyms
- 6-Methyl-2-Pyridinemethanol Synonym
- 2-Pyridinemethanol, 6-methyl- Synonym
- 6-Methyl-2-pyridinemethanol Synonym
- 6-Methyl-2-pyridylmethanol Synonym
- 2-(Hydroxymethyl)-6-methylpyridine Synonym
- 6-Methyl-2-(hydroxymethyl)pyridine Synonym
- NSC 164957 Synonym
- NSC 66528 Synonym
- (6-Methyl-2-pyridinyl)methanol Synonym
- 2-Methyl-6-pyridinemethanol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 123.16 g/mol | CAS Common Chemistry |
| 123.155 g/mol | RDKit | |
| Canonical SMILES | OCC1=NC(=CC=C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H9NO/c1-6-3-2-4-7(5-9)8-6/h2-4,9H,5H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JLVBSBMJQUMAMW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 96 °C | CAS Common Chemistry |
| Name | 6-Methyl-2-pyridinemethanol | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 33.120000000000005 Ų | RDKit |
| 33.12 Ų | RDKit | |
| 32.59 Ų | chempirical lib | |
| LogP | 0.88232 | RDKit |
| 0.8823 | RDKit | |
| Molar Refractivity | 34.8968 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2857 | RDKit |
| 0.29 | chempirical lib | |
| Exact Mass | 123.068413908 g/mol | RDKit |
| Boiling Point | 130-132 °C @ 8 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 123.16 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H9NO.
