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2-Pyridinemethanol, 3-Hydroxy-, Hydrochloride (1:1)
CAS: 14173-30-9 | C6H8ClNO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
14173-30-9
Molecular Formula:
C6H8ClNO2
Molecular Mass:
161.59 g/mol
Names and Synonyms:
2-Pyridinemethanol, 3-Hydroxy-, Hydrochloride (1:1)
2-Pyridinemethanol, 3-hydroxy-, hydrochloride (1:1)
2-Pyridinemethanol, 3-hydroxy-, hydrochloride
2-(Hydroxymethyl)-3-hydroxypyridine hydrochloride
3-Hydroxy-2-pyridinemethanol hydrochloride
3-Hydroxy-2-(hydroxymethyl)pyridine hydrochloride
2-(Hydroxymethyl)pyridin-3-ol hydrochloride
Identifiers:
SMILES:
Cl.OCc1ncccc1O
InChI:
InChI=1S/C6H7NO2.ClH/c8-4-5-6(9)2-1-3-7-5;/h1-3,8-9H,4H2;1H
Key Properties
Melting Point
206 °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 | 161.59 g/mol | CAS Common Chemistry |
| 161.58800000000002 g/mol | RDKit | |
| 161.024356176 g/mol | RDKit | |
| Canonical SMILES | Cl.OC1=CC=CN=C1CO | CAS Common Chemistry |
| InChI | InChI=1S/C6H7NO2.ClH/c8-4-5-6(9)2-1-3-7-5;/h1-3,8-9H,4H2;1H | CAS Common Chemistry |
| InChI Key | InChIKey=SKVRYQUMKJQZFN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 206 °C | CAS Common Chemistry |
| Name | 2-Pyridinemethanol, 3-hydroxy-, hydrochloride (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 53.35000000000001 Ų | RDKit |
| LogP | 0.7013 | RDKit |
| Molar Refractivity | 39.072600000000016 | RDKit |
