2,6-dibromopyridine-3-carbaldehyde

• ChemBase ID: 802909
• Molecular Formular: C6H3Br2NO
• Molecular Mass: 264.90212
• Monoisotopic Mass: 262.85813772
• SMILES: n1c(c(ccc1Br)C=O)Br
• Canonical SMILES: Brc1nc(Br)ccc1C=O
• InChI: InChI=1S/C6H3Br2NO/c7-5-2-1-4(3-10)6(8)9-5/h1-3H
• InChIKey: GSFFLGODLKMVMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dibromopyridine-3-carbaldehyde
• IUPAC Traditional name: 2,6-dibromopyridine-3-carbaldehyde
• Synonyms: 2,6-DIBROMOPYRIDINE-3-CARBOXALDEHYDE

Database IDs

• CAS Number: 55304-83-1

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.416625
• LogD (pH = 7.4): 2.416625
• Log P: 2.416625
• Molar Refractivity: 47.4151 cm^3
• Polarizability: 17.505438 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%