[6-(2,3-dichlorophenoxy)pyridin-3-yl]methanol

• ChemBase ID: 282728
• Molecular Formular: C12H9Cl2NO2
• Molecular Mass: 270.11136
• Monoisotopic Mass: 269.00103389
• SMILES: c1(c(Oc2ncc(cc2)CO)cccc1Cl)Cl
• Canonical SMILES: OCc1ccc(nc1)Oc1cccc(c1Cl)Cl
• InChI: InChI=1S/C12H9Cl2NO2/c13-9-2-1-3-10(12(9)14)17-11-5-4-8(7-16)6-15-11/h1-6,16H,7H2
• InChIKey: XNMXMPSWMNXULL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [6-(2,3-dichlorophenoxy)pyridin-3-yl]methanol
• IUPAC Traditional name: [6-(2,3-dichlorophenoxy)pyridin-3-yl]methanol
• Synonyms: [6-(2,3-dichlorophenoxy)pyridin-3-yl]methanol

Database IDs

• MDL Number: MFCD13322293
• PubChem SID: 180668259
• PubChem CID: 54595487

CALCULATED PROPERTIES

• Acid pKa: 14.681924
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.291018
• LogD (pH = 7.4): 3.291057
• Log P: 3.2910576
• Molar Refractivity: 66.8809 cm^3
• Polarizability: 26.05107 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.231

Product Information

• Purity: 95%