(6-chloro-4-methoxypyridin-3-yl)methanol

• ChemBase ID: 112993
• Molecular Formular: C7H8ClNO2
• Molecular Mass: 173.59692
• Monoisotopic Mass: 173.02435618
• SMILES: c1c(c(cnc1Cl)CO)OC
• Canonical SMILES: COc1cc(Cl)ncc1CO
• InChI: InChI=1S/C7H8ClNO2/c1-11-6-2-7(8)9-3-5(6)4-10/h2-3,10H,4H2,1H3
• InChIKey: STELNDMAIYYQSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6-chloro-4-methoxypyridin-3-yl)methanol
• IUPAC Traditional name: (6-chloro-4-methoxypyridin-3-yl)methanol
• Synonyms: (6-chloro-4-methoxypyridin-3-yl)methanol

Database IDs

• PubChem SID: 162106813
• PubChem CID: 71300223

CALCULATED PROPERTIES

• Acid pKa: 14.329755
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.6545421
• LogD (pH = 7.4): 0.6547712
• Log P: 0.6547742
• Molar Refractivity: 43.0463 cm^3
• Polarizability: 16.397999 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 107 - 108 °C

Product Information

• Purity: >97%