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2-Pyridinemethanol
CAS: 586-98-1 | C6H7NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
586-98-1
Molecular Formula:
C6H7NO
Molecular Mass:
109.13 g/mol
Names and Synonyms:
2-Pyridinemethanol
2-Pyridinemethanol
2-(Hydroxymethyl)pyridine
2-Pyridylcarbinol
Pyridine-2-carbinol
2-Pyridylmethanol
α-Picolyl alcohol
2-Pyridinylmethanol
Piconol
2-Pyridinylcarbinol
Identifiers:
SMILES:
OCc1ccccn1
InChI:
InChI=1S/C6H7NO/c8-5-6-3-1-2-4-7-6/h1-4,8H,5H2
Key Properties
Boiling Point
112 °C
CAS Common Chemistry
Melting Point
73 °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 | 109.13 g/mol | CAS Common Chemistry |
| 109.12799999999999 g/mol | RDKit | |
| 109.052763844 g/mol | RDKit | |
| Boiling Point | 112 °C | CAS Common Chemistry |
| Canonical SMILES | OCC1=NC=CC=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H7NO/c8-5-6-3-1-2-4-7-6/h1-4,8H,5H2 | CAS Common Chemistry |
| InChI Key | InChIKey=SHNUBALDGXWUJI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 73 °C | CAS Common Chemistry |
| Name | 2-Pyridinemethanol | CAS Common Chemistry |
| Heavy Atom Count | 8 | 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 | 0.5739 | RDKit |
| Molar Refractivity | 30.159799999999994 | RDKit |
