3-Bromo-4-chlorofuro[3,2-c]pyridine - ≥98% , CAS No.220939-72-0

CAS: 220939-72-0 Cat. No.: B724959 Molecular Weight: 232.47 PubChem CID: 10681119

GRADE & PURITY ≥98%

Synonyms

4-chloro-3-bromo-furo[3,2-c]pyridine

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

4-chloro-3-bromo-furo[3, 2-c]pyridine

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CN=C(C2=C1OC=C2Br)Cl
• IUPAC Name: 3-bromo-4-chlorofuro[3,2-c]pyridine
• InChIKey: VJWDCUWEVVDVKR-UHFFFAOYSA-N
• INCHI: 1S/C7H3BrClNO/c8-4-3-11-5-1-2-10-7(9)6(4)5/h1-3H
• Isomeric SMILES: C1=CN=C(C2=C1OC=C2Br)Cl
• PubChem CID: 10681119
• Molecular Weight: 232.47

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Furopyridines
      • Subclass Furo[3,2-c]pyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Furopyridines
• Subclass: Furo[3,2-c]pyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Furo[3,2-c]pyridines
• Alternative Parents: 2-halopyridines Aryl chlorides Aryl bromides Heteroaromatic compounds Furans Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Furo[3,2-c]pyridine - 2-halopyridine - Aryl bromide - Aryl chloride - Aryl halide - Pyridine - Furan - Heteroaromatic compound - Azacycle - Oxacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as furo[3,2-c]pyridines. These are aromatic compounds containing a furopyridine ring system, where the O- and the N-atom are at the 1- and 5- position, respectively.
• 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

• Molecular Weight: 232.460 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 230.909 Da
• Monoisotopic Mass: 230.909 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 157.000
• 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