Back to Search
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 Weight:
123.155 g/mol
Names and Synonyms:
6-Methyl-2-Pyridinemethanol
2-Pyridinemethanol, 6-methyl-
6-Methyl-2-pyridinemethanol
6-Methyl-2-pyridylmethanol
2-(Hydroxymethyl)-6-methylpyridine
6-Methyl-2-(hydroxymethyl)pyridine
NSC 164957
NSC 66528
(6-Methyl-2-pyridinyl)methanol
2-Methyl-6-pyridinemethanol
Identifiers:
SMILES:
Cc1cccc(CO)n1
InChI:
InChI=1S/C7H9NO/c1-6-3-2-4-7(5-9)8-6/h2-4,9H,5H2,1H3
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 123.155 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 123.068413908 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 33.120000000000005 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.88232 | RDKit |
| molecular_mass | 123.16 g/mol | Legacy Database |
| cas-boiling-point | 130-132 °C @ Press: 8 Torr None | Legacy Database |
| cas-canonical-smile | OCC1=NC(=CC=C1)C None | Legacy Database |
| cas-inchi | InChI=1S/C7H9NO/c1-6-3-2-4-7(5-9)8-6/h2-4,9H,5H2,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=JLVBSBMJQUMAMW-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 96 °C None | Legacy Database |
| cas-name | 6-Methyl-2-pyridinemethanol None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 34.8968 | RDKit |
