5-bromoquinolin-8-ol

• ChemBase ID: 288097
• Molecular Formular: C9H6BrNO
• Molecular Mass: 224.05404
• Monoisotopic Mass: 222.96327582
• SMILES: Oc1c2ncccc2c(Br)cc1
• Canonical SMILES: Brc1ccc(c2c1cccn2)O
• InChI: InChI=1S/C9H6BrNO/c10-7-3-4-8(12)9-6(7)2-1-5-11-9/h1-5,12H
• InChIKey: WIIUANWSGSTCLG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromoquinolin-8-ol
• IUPAC Traditional name: 5-bromo-8-hydroxyquinoline
• Synonyms: 5-Bromoquinolin-8-ol

Database IDs

• CAS Number: 1198-14-7
• MDL Number: MFCD00457011
• PubChem SID: 180673628
• PubChem CID: 70974

CALCULATED PROPERTIES

• Acid pKa: 8.425493
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.57891
• LogD (pH = 7.4): 2.5558226
• Log P: 2.5960877
• Molar Refractivity: 49.583 cm^3
• Polarizability: 20.266663 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%