7-bromoquinolin-5-ol

• ChemBase ID: 292036
• Molecular Formular: C9H6BrNO
• Molecular Mass: 224.05404
• Monoisotopic Mass: 222.96327582
• SMILES: Oc1cc(Br)cc2c1cccn2
• Canonical SMILES: Brc1cc(O)c2c(c1)nccc2
• InChI: InChI=1S/C9H6BrNO/c10-6-4-8-7(9(12)5-6)2-1-3-11-8/h1-5,12H
• InChIKey: DSLUBMAJPKDQJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-bromoquinolin-5-ol
• IUPAC Traditional name: 7-bromoquinolin-5-ol
• Synonyms: 7-Bromoquinolin-5-ol

Database IDs

• CAS Number: 1261677-80-8
• MDL Number: MFCD11878500
• PubChem SID: 180677567
• PubChem CID: 70701110

CALCULATED PROPERTIES

• Acid pKa: 7.612198
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.563683
• LogD (pH = 7.4): 2.3857665
• Log P: 2.5960877
• Molar Refractivity: 49.583 cm^3
• Polarizability: 20.260479 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%