3-bromo-2-chloro-4-iodopyridine

• ChemBase ID: 797160
• Molecular Formular: C5H2BrClIN
• Molecular Mass: 318.33755
• Monoisotopic Mass: 316.81038675
• SMILES: n1c(c(c(cc1)I)Br)Cl
• Canonical SMILES: Ic1ccnc(c1Br)Cl
• InChI: InChI=1S/C5H2BrClIN/c6-4-3(8)1-2-9-5(4)7/h1-2H
• InChIKey: WYWOYISCYDNWEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-2-chloro-4-iodopyridine
• IUPAC Traditional name: 3-bromo-2-chloro-4-iodopyridine
• Synonyms: 3-BroMo-2-chloro-4-iodopyridine

Database IDs

• CAS Number: 884494-53-5

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.2774923
• LogD (pH = 7.4): 3.2774923
• Log P: 3.2774923
• Molar Refractivity: 50.7525 cm^3
• Polarizability: 19.909525 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%