3-bromo-2-iodopyridine

• ChemBase ID: 92234
• Molecular Formular: C5H3BrIN
• Molecular Mass: 283.89249
• Monoisotopic Mass: 282.8493591
• SMILES: n1c(c(ccc1)Br)I
• Canonical SMILES: Brc1cccnc1I
• InChI: InChI=1S/C5H3BrIN/c6-4-2-1-3-8-5(4)7/h1-3H
• InChIKey: NYCGGAQICCWUCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-2-iodopyridine
• IUPAC Traditional name: 3-bromo-2-iodopyridine
• Synonyms: 3-Bromo-2-iodopyridine

Database IDs

• CAS Number: 408502-43-2
• MDL Number: MFCD08543471
• PubChem SID: 162078932
• PubChem CID: 23542451

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.485857
• LogD (pH = 7.4): 2.4858582
• Log P: 2.4858582
• Molar Refractivity: 44.5945 cm^3
• Polarizability: 17.90069 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 50-52°C
• Boiling Point: 138-139°C/8mm

Safety Information

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

Product Information

• Purity: 98%