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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
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
Key Properties
Boiling Point
130-132 °C @ Press: 8 Torr
CAS Common Chemistry
Melting Point
96 °C
CAS Common Chemistry
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 | 123.16 g/mol | CAS Common Chemistry |
| 123.155 g/mol | RDKit | |
| 123.068413908 g/mol | RDKit | |
| Boiling Point | 130-132 °C @ Press: 8 Torr | CAS Common Chemistry |
| 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 |
| LogP | 0.88232 | RDKit |
| Molar Refractivity | 34.8968 | RDKit |
