3,5-dichloro-2,6-dimethylpyridin-4-ol

• ChemBase ID: 157687
• Molecular Formular: C7H7Cl2NO
• Molecular Mass: 192.04258
• Monoisotopic Mass: 190.99046921
• SMILES: Cc1c(c(c(c(n1)C)Cl)O)Cl
• Canonical SMILES: Cc1nc(C)c(c(c1Cl)O)Cl
• InChI: InChI=1S/C7H7Cl2NO/c1-3-5(8)7(11)6(9)4(2)10-3/h1-2H3,(H,10,11)
• InChIKey: ZDPIZLCVJAAHHR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dichloro-2,6-dimethylpyridin-4-ol
• IUPAC Traditional name: clopidol
• Synonyms: 3,5-dichloro-2,6-dimethylpyridin-4-ol; 3,5-Dichloro-2,6-dimethyl-4-pyridinol; Clopidol; 3,5-Dichloro-2,6-dimethyl- 4-pyridinol; 3,5-Dichloro-4-hydroxy-2,6-dimethylpyridine; Methylclorpindol; Meticlorpindol; Coyden; Clopindol; Farmcoccid; Coccidiostat C; Lerbek; NSC 253479; Pharmcoccid; WR 61112; Clopidol; 3,5-二氯-2,6-二甲基-4-羟基吡啶; 氯吡多

Database IDs

• CAS Number: 2971-90-6
• EC Number: 221-008-2
• MDL Number: MFCD00867211; MFCD22123390; MFCD00476735
• PubChem SID: 24860696; 162251824
• PubChem CID: 18087

CALCULATED PROPERTIES

• Acid pKa: 7.5590134
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9190449
• LogD (pH = 7.4): 1.7006065
• Log P: 1.9228377
• Molar Refractivity: 44.6746 cm^3
• Polarizability: 17.455751 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.87

Safety Information

• RTECS: UU7711500
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 2
• Risk Statements: 36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95%; 95+%
• Grade: VETRANAL™, analytical standard

DETAILS

Sigma Aldrich - 33988

Legal Information
VETRANAL is a trademark of Sigma-Aldrich Co. LLC
Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. 33988.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.

Toronto Research Chemicals - C587285

An antibiotic used in veterinary medicine as a coccidiostat in poultry. Showed low order of acute and chronic toxicity in animals.

REFERENCES

• Smith, D.N., et al.: Poult. Sci. 48, 420 (1969)
• Plisek, et al.: Vet. Spofa, 12, 111 (1969)