3-bromo-6-chloro-8-iodoimidazo[1,2-a]pyridine

• ChemBase ID: 51045
• Molecular Formular: C7H3BrClIN2
• Molecular Mass: 357.37359
• Monoisotopic Mass: 355.82128579
• SMILES: n12c(ncc1Br)c(cc(c2)Cl)I
• Canonical SMILES: Clc1cc(I)c2n(c1)c(Br)cn2
• InChI: InChI=1S/C7H3BrClIN2/c8-6-2-11-7-5(10)1-4(9)3-12(6)7/h1-3H
• InChIKey: NOBLVPYZQVLTTD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-6-chloro-8-iodoimidazo[1,2-a]pyridine
• IUPAC Traditional name: 3-bromo-6-chloro-8-iodoimidazo[1,2-a]pyridine
• Synonyms: 3-Bromo-6-chloro-8-iodoimidazo[1,2-a]pyridine 95+%; 3-Bromo-6-chloro-8-iodoimidazo[1,2-a]pyridine

Database IDs

• MDL Number: MFCD14584773
• PubChem SID: 162055808
• PubChem CID: 49757494

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.7026966
• LogD (pH = 7.4): 2.7608418
• Log P: 2.7616467
• Molar Refractivity: 61.5085 cm^3
• Polarizability: 23.677858 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 144 - 145 °C; 144-145°C

Safety Information

• Storage Warning: IRRITANT; Irritant/Light Sensitive/Keep Cold
• TSCA Listed: false

Product Information

• Purity: >95%