2-(4-Bromophenyl)-6-iodoimidazo[1,2-a]pyridine - ≥97% , CAS No.118000-66-1

CAS: 118000-66-1 Cat. No.: B468606 Molecular Weight: 399.02 EC Number: 622-498-4

GRADE & PURITY ≥97%

Synonyms

2-(4-Bromophenyl)-6-iodoH-imidazo[1,2-a]pyridine | 2-(4-Bromophenyl)-6-iodoimidazo[1,2-a]pyridine | 2-(4-Bromophenyl)-6-iodoimidazo[1,2-]pyridine | AKOS016032812 | DTXSID60554872 | A]pyridine | MFCD00444892 | 2-(4-Bromophenyl)-6-iodoimidazo[1,2- | 2-(4-Br

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Synonyms

2-(4-Bromophenyl)-6-iodoH-imidazo[1, 2-a]pyridine | 2-(4-Bromophenyl)-6-iodoimidazo[1, 2-a]pyridine | 2-(4-Bromophenyl)-6-iodoimidazo[1, 2-]pyridine | AKOS016032812 | DTXSID60554872 | A]pyridine | MFCD00444892 | 2-(4-Bromophenyl)-6-iodoimidazo[1, 2- | 2-(4-Br

Specifications & Purity

≥97%

Storage

Protected from light, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1=CC(=CC=C1C2=CN3C=C(C=CC3=N2)I)Br
• IUPAC Name: 2-(4-bromophenyl)-6-iodoimidazo[1,2-a]pyridine
• InChIKey: DOUYIPIXURZQRX-UHFFFAOYSA-N
• INCHI: 1S/C13H8BrIN2/c14-10-3-1-9(2-4-10)12-8-17-7-11(15)5-6-13(17)16-12/h1-8H
• Isomeric SMILES: C1=CC(=CC=C1C2=CN3C=C(C=CC3=N2)I)Br
• WGK Germany: 3
• Molecular Weight: 399.02
• Reaxy-Rn: 5025173
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5025173&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Imidazoles
        • Level5 Substituted imidazoles
          • Level6 Phenylimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Substituted imidazoles
• Direct Parent: Phenylimidazoles
• Alternative Parents: Imidazopyridines Imidazo[1,2-a]pyridines Bromobenzenes Pyridines and derivatives N-substituted imidazoles Aryl iodides Aryl bromides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 5-phenylimidazole - 4-phenylimidazole - Imidazo[1,2-a]pyridine - Imidazopyridine - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Aryl iodide - Monocyclic benzene moiety - N-substituted imidazole - Pyridine - Benzenoid - Heteroaromatic compound - Azacycle - Organohalogen compound - Hydrocarbon derivative - Organobromide - Organoiodide - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Moisture and light sensitive
• Molecular Weight: 399.020 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 397.892 Da
• Monoisotopic Mass: 397.892 Da
• Topological Polar Surface Area: 17.300 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 268.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1