4-bromo-2-iodopyridine

• ChemBase ID: 810598
• Molecular Formular: C5H3BrIN
• Molecular Mass: 283.89249
• Monoisotopic Mass: 282.8493591
• SMILES: n1c(cc(cc1)Br)I
• Canonical SMILES: Brc1ccnc(c1)I
• InChI: InChI=1S/C5H3BrIN/c6-4-1-2-8-5(7)3-4/h1-3H
• InChIKey: MZWFYABOEZMENB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-2-iodopyridine
• IUPAC Traditional name: 4-bromo-2-iodopyridine
• Synonyms: 4-BROMO-2-IODOPYRIDINE

Database IDs

• CAS Number: 100523-83-9

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.4858537
• LogD (pH = 7.4): 2.485858
• Log P: 2.4858582
• Molar Refractivity: 44.5945 cm^3
• Polarizability: 17.890316 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%