7-fluoro-6-methoxyisoquinolin-1-ol

• ChemBase ID: 243294
• Molecular Formular: C10H8FNO2
• Molecular Mass: 193.1744232
• Monoisotopic Mass: 193.05390672
• SMILES: c12cc(c(cc2ccnc1O)OC)F
• Canonical SMILES: COc1cc2ccnc(c2cc1F)O
• InChI: InChI=1S/C10H8FNO2/c1-14-9-4-6-2-3-12-10(13)7(6)5-8(9)11/h2-5H,1H3,(H,12,13)
• InChIKey: MNYLLSMVYDGHNO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-fluoro-6-methoxyisoquinolin-1-ol
• IUPAC Traditional name: 7-fluoro-6-methoxyisoquinolin-1-ol
• Synonyms: 7-fluoro-6-methoxyisoquinolin-1-ol

Database IDs

• MDL Number: MFCD21876068
• PubChem SID: 164299204
• PubChem CID: 21889826

CALCULATED PROPERTIES

• Acid pKa: 11.936858
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.0209699
• LogD (pH = 7.4): 2.0209606
• Log P: 2.020973
• Molar Refractivity: 49.3253 cm^3
• Polarizability: 19.717127 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.424

Product Information

• Purity: 95%