Back to Search
2-Chloro-3-Pyridinemethanol
CAS: 42330-59-6 | C6H6ClNO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
42330-59-6
Molecular Formula:
C6H6ClNO
Molecular Mass:
143.57 g/mol
Names and Synonyms:
2-Chloro-3-Pyridinemethanol
3-Pyridinemethanol, 2-chloro-
2-Chloro-3-pyridinemethanol
2-Chloro-3-pyridylmethanol
2-Chloro-3-hydroxymethylpyridine
(2-Chloro-3-pyridinyl)methanol
Identifiers:
SMILES:
OCc1cccnc1Cl
InChI:
InChI=1S/C6H6ClNO/c7-6-5(4-9)2-1-3-8-6/h1-3,9H,4H2
Key Properties
Melting Point
62-63 °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 | 143.57 g/mol | CAS Common Chemistry |
| 143.57299999999998 g/mol | RDKit | |
| 143.013791492 g/mol | RDKit | |
| Canonical SMILES | ClC1=NC=CC=C1CO | CAS Common Chemistry |
| InChI | InChI=1S/C6H6ClNO/c7-6-5(4-9)2-1-3-8-6/h1-3,9H,4H2 | CAS Common Chemistry |
| InChI Key | InChIKey=HMPDWSBKPCOQDW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 62-63 °C | CAS Common Chemistry |
| Name | 2-Chloro-3-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 | 1.2272999999999998 | RDKit |
| Molar Refractivity | 35.1698 | RDKit |
