6-methoxyisoquinolin-7-ol

• ChemBase ID: 247942
• Molecular Formular: C10H9NO2
• Molecular Mass: 175.18396
• Monoisotopic Mass: 175.06332853
• SMILES: c1(c(cc2c(c1)cncc2)OC)O
• Canonical SMILES: COc1cc2ccncc2cc1O
• InChI: InChI=1S/C10H9NO2/c1-13-10-5-7-2-3-11-6-8(7)4-9(10)12/h2-6,12H,1H3
• InChIKey: XBFVDMIXKWTTFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxyisoquinolin-7-ol
• IUPAC Traditional name: 6-methoxyisoquinolin-7-ol
• Synonyms: 6-methoxyisoquinolin-7-ol

Database IDs

• MDL Number: MFCD00100262
• PubChem SID: 164303852
• PubChem CID: 254871

CALCULATED PROPERTIES

• Acid pKa: 9.200419
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.6712315
• LogD (pH = 7.4): 1.2510576
• Log P: 1.2838136
• Molar Refractivity: 48.7954 cm^3
• Polarizability: 20.065765 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 159 - 161°C
• Hydrophobicity(logP): 1.949

Product Information

• Purity: 95%