2,6-dibromopyridine-4-carbaldehyde

• ChemBase ID: 78302
• Molecular Formular: C6H3Br2NO
• Molecular Mass: 264.90212
• Monoisotopic Mass: 262.85813772
• SMILES: n1c(cc(cc1Br)C=O)Br
• Canonical SMILES: O=Cc1cc(Br)nc(c1)Br
• InChI: InChI=1S/C6H3Br2NO/c7-5-1-4(3-10)2-6(8)9-5/h1-3H
• InChIKey: OVMDNAWSEWSGDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dibromopyridine-4-carbaldehyde
• IUPAC Traditional name: 2,6-dibromopyridine-4-carbaldehyde
• Synonyms: 2,6-Dibromopyridine-4-carboxaldehyde; 2,6-Dibromoisonicotinaldehyde; 2,6-DIBROMOPYRIDINE-4-CARBOXALDEHYDE

Database IDs

• CAS Number: 316800-46-1
• PubChem SID: 162043074
• PubChem CID: 2762977

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: 17.503084 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant/Harmful/Light Sensitive/Store under Argon

Product Information

• Purity: 98%