Back to Search
2,6-Dichloro-4-Pyridinol
CAS: 17228-74-9 | C5H3Cl2NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
17228-74-9
Molecular Formula:
C5H3Cl2NO
Molecular Mass:
163.99 g/mol
Names and Synonyms:
2,6-Dichloro-4-Pyridinol
4-Pyridinol, 2,6-dichloro-
2,6-Dichloro-4-pyridinol
2,6-Dichloro-4-hydroxypyridine
2,6-Dichloro-1H-pyridin-4-one
Identifiers:
SMILES:
Oc1cc(Cl)nc(Cl)c1
InChI:
InChI=1S/C5H3Cl2NO/c6-4-1-3(9)2-5(7)8-4/h1-2H,(H,8,9)
Key Properties
Melting Point
196 °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 | 163.99 g/mol | CAS Common Chemistry |
| 163.991 g/mol | RDKit | |
| 162.959169076 g/mol | RDKit | |
| Canonical SMILES | ClC=1N=C(Cl)C=C(O)C1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H3Cl2NO/c6-4-1-3(9)2-5(7)8-4/h1-2H,(H,8,9) | CAS Common Chemistry |
| InChI Key | InChIKey=OSNKDCCXTYRUGA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 196 °C | CAS Common Chemistry |
| Name | 2,6-Dichloro-4-pyridinol | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 33.120000000000005 Ų | RDKit |
| LogP | 2.094 | RDKit |
| Molar Refractivity | 35.92180000000001 | RDKit |
