7-methylisoquinolin-1-ol

• ChemBase ID: 814485
• Molecular Formular: C10H9NO
• Molecular Mass: 159.18456
• Monoisotopic Mass: 159.06841391
• SMILES: c1(cc2c(cc1)ccnc2O)C
• Canonical SMILES: Cc1ccc2c(c1)c(O)ncc2
• InChI: InChI=1S/C10H9NO/c1-7-2-3-8-4-5-11-10(12)9(8)6-7/h2-6H,1H3,(H,11,12)
• InChIKey: ZLTCEYHTNOZGIS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methylisoquinolin-1-ol
• IUPAC Traditional name: 7-methylisoquinolin-1-ol
• Synonyms: 7-methylisoquinolin-1-ol

Database IDs

• CAS Number: 26829-47-0

CALCULATED PROPERTIES

• Acid pKa: 12.106879
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.5493574
• LogD (pH = 7.4): 2.5493553
• Log P: 2.5493639
• Molar Refractivity: 47.6869 cm^3
• Polarizability: 19.358147 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%