3-bromo-5-iodo-2-methoxypyridin-4-amine - ≥97% , CAS No.1227268-98-5

CAS: 1227268-98-5 Cat. No.: B677656 Peso molecular: 328.93 PubChem CID: 67535926

GRADE & PURITY ≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: COC1=NC=C(C(=C1Br)N)I
• IUPAC Name: 3-bromo-5-iodo-2-methoxypyridin-4-amine
• InChIKey: UXWBCEIGPUSDDR-UHFFFAOYSA-N
• INCHI: 1S/C6H6BrIN2O/c1-11-6-4(7)5(9)3(8)2-10-6/h2H,1H3,(H2,9,10)
• Isómeros SMILES: COC1=NC=C(C(=C1Br)N)I
• PubChem CID: 67535926
• Peso molecular: 328.93

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives
      • Subclass Halopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Halopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Polyhalopyridines
• Alternative Parents: Aminopyridines and derivatives Alkyl aryl ethers Aryl iodides Aryl bromides Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organoiodides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Polyhalopyridine - Alkyl aryl ether - Aminopyridine - Aryl bromide - Aryl halide - Aryl iodide - Heteroaromatic compound - Azacycle - Ether - Organonitrogen compound - Organoiodide - Organobromide - Organohalogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Primary amine - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as polyhalopyridines. These are organic compounds containing a pyridine ring substituted at two or more positions by a halogen atom.
• 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: 328.930 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 327.871 Da
• Monoisotopic Mass: 327.871 Da
• Topological Polar Surface Area: 48.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 138.000
• 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