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Molecule
Clopidol
CAS: 2971-90-6 · C7H7Cl2NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2971-90-6
- Molecular Formula
- C7H7Cl2NO
- Molecular Mass
- 192.05 g/mol
Identifiers
CAS Registry Number
2971-90-6
SMILES
Cc1[nH]c(C)c(Cl)c(=O)c1Cl
InChI Key
ZDPIZLCVJAAHHR-UHFFFAOYSA-N
InChI
InChI=1S/C7H7Cl2NO/c1-3-5(8)7(11)6(9)4(2)10-3/h1-2H3,(H,10,11)
Names and Synonyms
- Clopidol Synonym
- 4-Pyridinol, 3,5-dichloro-2,6-dimethyl- Synonym
- 3,5-Dichloro-2,6-dimethyl-4-pyridinol Synonym
- Coyden Synonym
- Meticlorpindol Synonym
- Clopidol Synonym
- Coyden 25 Synonym
- Coccidiostat C Synonym
- 2,6-Dimethyl-3,5-dichloro-4-pyridinol Synonym
- Methylchlorpindol Synonym
- 3,5-Dichloro-4-hydroxy-2,6-dimethylpyridine Synonym
- 3,5-Dichloro-2,6-dimethylpyridinol Synonym
- Methylchloropindol Synonym
- Lerbek Synonym
- 3,5-Dichloro-2,6-dimethyl-4-hydroxypyridine Synonym
- Pharmcoccid Synonym
- Farmcoccid Synonym
- WR 61112 Synonym
- NSC 253479 Synonym
- 2,6-Dimethyl-3,5-dichloro-4-hydroxypyridine Synonym
- Pharmcoccid 10 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 192.05 g/mol | CAS Common Chemistry |
| 192.045 g/mol | RDKit | |
| 192.039 g/mol | chempirical lib | |
| Canonical SMILES | ClC=1C(O)=C(Cl)C(=NC1C)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H7Cl2NO/c1-3-5(8)7(11)6(9)4(2)10-3/h1-2H3,(H,10,11) | CAS Common Chemistry |
| InChI Key | InChIKey=ZDPIZLCVJAAHHR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 320 °C | CAS Common Chemistry |
| Name | Clopidol | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 32.86 Ų | RDKit |
| LogP | 2.29854 | RDKit |
| 2.2985 | RDKit | |
| 2.2 | chempirical lib | |
| Molar Refractivity | 46.55670000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2857 | RDKit |
| 0.29 | chempirical lib | |
| Exact Mass | 190.990469204 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 192.05 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H7Cl2NO.
