3-(6-Iodo-imidazo[1,2-a]pyridin-2-yl)-phenylamine - ≥95% , CAS No.866018-05-5

CAS: 866018-05-5 Cat. No.: I187250 Peso molecular: 335.1 PubChem CID: 1477842

GRADE & PURITY ≥95%

Synonyms

MFCD03305713 | 3-(6-Iodo-imidazo[1,2-a]pyridin-2-yl)phenylamine | 3-(6-IODO-IMIDAZO[1,2-A]PYRIDIN-2-YL)-PHENYLAMINE | 3-(6-iodoimidazo[1,2-a]pyridin-2-yl)phenylamine | 4T-0607 | Benzenamine, 3-(6-iodoimidazo[1,2-a]pyridin-2- yl)- | AB13986 | AKOS005093581

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

MFCD03305713 | 3-(6-Iodo-imidazo[1, 2-a]pyridin-2-yl)phenylamine | 3-(6-IODO-IMIDAZO[1, 2-A]PYRIDIN-2-YL)-PHENYLAMINE | 3-(6-iodoimidazo[1, 2-a]pyridin-2-yl)phenylamine | 4T-0607 | Benzenamine, 3-(6-iodoimidazo[1, 2-a]pyridin-2- yl)- | AB13986 | AKOS005093581

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=CC(=C1)N)C2=CN3C=C(C=CC3=N2)I
• IUPAC Name: 3-(6-iodoimidazo[1,2-a]pyridin-2-yl)aniline
• InChIKey: YZDTWKXEIVZCKC-UHFFFAOYSA-N
• INCHI: 1S/C13H10IN3/c14-10-4-5-13-16-12(8-17(13)7-10)9-2-1-3-11(15)6-9/h1-8H,15H2
• Isómeros SMILES: C1=CC(=CC(=C1)N)C2=CN3C=C(C=CC3=N2)I
• PubChem CID: 1477842
• Peso molecular: 335.1

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Substituted imidazoles
• Direct Parent: Phenylimidazoles
• Alternative Parents: Imidazopyridines Imidazo[1,2-a]pyridines Aniline and substituted anilines Pyridines and derivatives N-substituted imidazoles Aryl iodides Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organoiodides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 5-phenylimidazole - 4-phenylimidazole - Imidazopyridine - Imidazo[1,2-a]pyridine - Aniline or substituted anilines - Aryl halide - Aryl iodide - Monocyclic benzene moiety - N-substituted imidazole - Pyridine - Benzenoid - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organonitrogen compound - Organoiodide - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Primary amine - Amine - Aromatic heteropolycyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 335.140 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 334.992 Da
• Monoisotopic Mass: 334.992 Da
• Topological Polar Surface Area: 43.300 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 273.000
• 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