3-Bromofuro[2，3-b]pyridine - ≥95% , CAS No.92404-58-5

CAS: 92404-58-5 Cat. No.: B698569 Peso molecular: 198.02 PubChem CID: 641476

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1=CC2=C(N=C1)OC=C2Br
• IUPAC Name: 3-bromofuro[2,3-b]pyridine
• InChIKey: KVTWYZRYGSLFCT-UHFFFAOYSA-N
• INCHI: 1S/C7H4BrNO/c8-6-4-10-7-5(6)2-1-3-9-7/h1-4H
• Isómeros SMILES: C1=CC2=C(N=C1)OC=C2Br
• PubChem CID: 641476
• Peso molecular: 198.02

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Furopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Furopyridines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Furopyridines
• Alternative Parents: Pyridines and derivatives Aryl bromides Heteroaromatic compounds Furans Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Furopyridine - Aryl bromide - Aryl halide - Pyridine - Furan - Heteroaromatic compound - Oxacycle - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as furopyridines. These are aromatic heterocyclic compounds containing a furopyridine ring system, which consists of a furan ring fused to a pyridine ring.
• 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: 198.020 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 196.948 Da
• Monoisotopic Mass: 196.948 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 131.000
• 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