5,8-dibromo-6-methoxyquinoline

• ChemBase ID: 291413
• Molecular Formular: C10H7Br2NO
• Molecular Mass: 316.97668
• Monoisotopic Mass: 314.88943785
• SMILES: COc1cc(Br)c2ncccc2c1Br
• Canonical SMILES: COc1cc(Br)c2c(c1Br)cccn2
• InChI: InChI=1S/C10H7Br2NO/c1-14-8-5-7(11)10-6(9(8)12)3-2-4-13-10/h2-5H,1H3
• InChIKey: WMNDQHFHVXYHJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,8-dibromo-6-methoxyquinoline
• IUPAC Traditional name: 5,8-dibromo-6-methoxyquinoline
• Synonyms: 5,8-Dibromo-6-methoxyquinoline

Database IDs

• CAS Number: 1187386-37-3
• MDL Number: MFCD12756472
• PubChem SID: 180676944
• PubChem CID: 46739789

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.510194
• LogD (pH = 7.4): 3.5107276
• Log P: 3.5107346
• Molar Refractivity: 61.6881 cm^3
• Polarizability: 25.117706 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%