3,5-dichloro-6-methylpyridin-2-ol

• ChemBase ID: 290877
• Molecular Formular: C6H5Cl2NO
• Molecular Mass: 178.016
• Monoisotopic Mass: 176.97481915
• SMILES: Oc1nc(C)c(Cl)cc1Cl
• Canonical SMILES: Clc1cc(Cl)c(nc1C)O
• InChI: InChI=1S/C6H5Cl2NO/c1-3-4(7)2-5(8)6(10)9-3/h2H,1H3,(H,9,10)
• InChIKey: ITYIUDYAPKMQER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dichloro-6-methylpyridin-2-ol
• IUPAC Traditional name: 3,5-dichloro-6-methylpyridin-2-ol
• Synonyms: 3,5-Dichloro-6-methylpyridin-2-ol

Database IDs

• CAS Number: 22109-55-3
• PubChem SID: 180676408
• PubChem CID: 12269761

CALCULATED PROPERTIES

• Acid pKa: 9.556969
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.385887
• LogD (pH = 7.4): 2.3829498
• Log P: 2.385925
• Molar Refractivity: 40.3966 cm^3
• Polarizability: 15.695545 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%