7-bromoquinoline-2-carbaldehyde

• ChemBase ID: 246360
• Molecular Formular: C10H6BrNO
• Molecular Mass: 236.06474
• Monoisotopic Mass: 234.96327582
• SMILES: n1c2cc(ccc2ccc1C=O)Br
• Canonical SMILES: O=Cc1ccc2c(n1)cc(cc2)Br
• InChI: InChI=1S/C10H6BrNO/c11-8-3-1-7-2-4-9(6-13)12-10(7)5-8/h1-6H
• InChIKey: UAAIYUWCJFTSAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-bromoquinoline-2-carbaldehyde
• IUPAC Traditional name: 7-bromoquinoline-2-carbaldehyde
• Synonyms: 7-bromoquinoline-2-carbaldehyde

Database IDs

• MDL Number: MFCD06824224
• PubChem SID: 164302270
• PubChem CID: 36688023

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.2865183
• LogD (pH = 7.4): 3.2866962
• Log P: 3.2866986
• Molar Refractivity: 53.8009 cm^3
• Polarizability: 21.550495 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.854

Product Information

• Purity: 95%