2-(chloromethyl)-5-methoxypyridin-4-ol

• ChemBase ID: 309179
• Molecular Formular: C7H8ClNO2
• Molecular Mass: 173.59692
• Monoisotopic Mass: 173.02435618
• SMILES: c1(c(cnc(c1)CCl)OC)O
• Canonical SMILES: COc1cnc(cc1O)CCl
• InChI: InChI=1S/C7H8ClNO2/c1-11-7-4-9-5(3-8)2-6(7)10/h2,4H,3H2,1H3,(H,9,10)
• InChIKey: GXADSASGUAYZKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(chloromethyl)-5-methoxypyridin-4-ol
• IUPAC Traditional name: 2-(chloromethyl)-5-methoxypyridin-4-ol
• Synonyms: 2-(chloromethyl)-5-methoxy-4-pyridinol

Database IDs

• CAS Number: 943752-03-2
• MDL Number: MFCD14552181

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.9626149
• LogD (pH = 7.4): 0.962626
• Log P: 0.9630508
• Molar Refractivity: 41.6899 cm^3
• Polarizability: 16.281385 Å^3
• Polar Surface Area: 42.35 Å^2