5-bromo-2-chloro-3-nitro-pyridin-4-amine - ≥97% , CAS No.1334136-60-5

CAS: 1334136-60-5 Cat. No.: B679953 Peso molecular: 252.45 PubChem CID: 57336666

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: C1=C(C(=C(C(=N1)Cl)[N+](=O)[O-])N)Br
• IUPAC Name: 5-bromo-2-chloro-3-nitropyridin-4-amine
• InChIKey: SIFNHCBGPOJHHZ-UHFFFAOYSA-N
• INCHI: 1S/C5H3BrClN3O2/c6-2-1-9-5(7)4(3(2)8)10(11)12/h1H,(H2,8,9)
• Isómeros SMILES: C1=C(C(=C(C(=N1)Cl)[N+](=O)[O-])N)Br
• PubChem CID: 57336666
• Peso molecular: 252.45

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic 1,3-dipolar compounds
    • Clase Allyl-type 1,3-dipolar organic compounds
      • Subclass Organic nitro compounds
        • Level5 C-nitro compounds
          • Level6 Nitroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organic 1,3-dipolar compounds
• Clase: Allyl-type 1,3-dipolar organic compounds
• Subclass: Organic nitro compounds
• Intermediate Tree Nodes: C-nitro compounds
• Direct Parent: Nitroaromatic compounds
• Alternative Parents: Polyhalopyridines 2-halopyridines Aminopyridines and derivatives Aryl bromides Aryl chlorides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic zwitterions Primary amines Organobromides Organic oxides Organochlorides Organic salts
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nitroaromatic compound - Polyhalopyridine - Aminopyridine - 2-halopyridine - Aryl bromide - Aryl chloride - Aryl halide - Pyridine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Amine - Organic zwitterion - Primary amine - Organonitrogen compound - Organochloride - Organobromide - Organic salt - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as nitroaromatic compounds. These are c-nitro compounds where the nitro group is C-substituted with an aromatic group.
• 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: 252.450 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 250.91 Da
• Monoisotopic Mass: 250.91 Da
• Topological Polar Surface Area: 84.700 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 188.000
• 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