(6-bromoquinolin-2-yl)methanol

• ChemBase ID: 814349
• Molecular Formular: C10H8BrNO
• Molecular Mass: 238.08062
• Monoisotopic Mass: 236.97892588
• SMILES: C(O)c1ccc2c(ccc(c2)Br)n1
• Canonical SMILES: OCc1ccc2c(n1)ccc(c2)Br
• InChI: InChI=1S/C10H8BrNO/c11-8-2-4-10-7(5-8)1-3-9(6-13)12-10/h1-5,13H,6H2
• InChIKey: FAYMUBBAEWEMTD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6-bromoquinolin-2-yl)methanol
• IUPAC Traditional name: (6-bromoquinolin-2-yl)methanol
• Synonyms: (6-bromoquinolin-2-yl)methanol

Database IDs

• CAS Number: 1196151-65-1

CALCULATED PROPERTIES

• Acid pKa: 14.234953
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.2117772
• LogD (pH = 7.4): 2.21375
• Log P: 2.2137752
• Molar Refractivity: 53.8958 cm^3
• Polarizability: 22.095917 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%