[3-chloro-6-(1-phenylethoxy)pyridin-2-yl]methanol

• ChemBase ID: 284176
• Molecular Formular: C14H14ClNO2
• Molecular Mass: 263.71946
• Monoisotopic Mass: 263.07130637
• SMILES: n1c(c(ccc1OC(c1ccccc1)C)Cl)CO
• Canonical SMILES: OCc1nc(ccc1Cl)OC(c1ccccc1)C
• InChI: InChI=1S/C14H14ClNO2/c1-10(11-5-3-2-4-6-11)18-14-8-7-12(15)13(9-17)16-14/h2-8,10,17H,9H2,1H3
• InChIKey: IQMMACKULPYSLX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-chloro-6-(1-phenylethoxy)pyridin-2-yl]methanol
• IUPAC Traditional name: [3-chloro-6-(1-phenylethoxy)pyridin-2-yl]methanol
• Synonyms: [3-chloro-6-(1-phenylethoxy)pyridin-2-yl]methanol

Database IDs

• MDL Number: MFCD13322787
• PubChem SID: 180669707
• PubChem CID: 54595894

CALCULATED PROPERTIES

• Acid pKa: 13.949802
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.2515707
• LogD (pH = 7.4): 3.2515745
• Log P: 3.2515745
• Molar Refractivity: 70.8077 cm^3
• Polarizability: 27.72193 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.308

Product Information

• Purity: 95%