6-bromoquinoline-8-carbaldehyde

• ChemBase ID: 274021
• Molecular Formular: C10H6BrNO
• Molecular Mass: 236.06474
• Monoisotopic Mass: 234.96327582
• SMILES: c1(c2c(cc(c1)Br)cccn2)C=O
• Canonical SMILES: O=Cc1cc(Br)cc2c1nccc2
• InChI: InChI=1S/C10H6BrNO/c11-9-4-7-2-1-3-12-10(7)8(5-9)6-13/h1-6H
• InChIKey: XKOZNHYLDOTMKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromoquinoline-8-carbaldehyde
• IUPAC Traditional name: 6-bromoquinoline-8-carbaldehyde
• Synonyms: 6-bromoquinoline-8-carbaldehyde

Database IDs

• MDL Number: MFCD11847623
• PubChem SID: 164329931
• PubChem CID: 53404466

CALCULATED PROPERTIES

• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.61186
• LogD (pH = 7.4): 2.6121516
• Log P: 2.6121554
• Molar Refractivity: 54.1861 cm^3
• Polarizability: 21.547411 Å^3
• Polar Surface Area: 29.96 Å^2

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.722

Product Information

• Purity: 95%