7-Bromofuro[3,2-c]pyridin-4(5h)-one - ≥95% , CAS No.603301-02-6

CAS: 603301-02-6 Cat. No.: B185505 Peso molecular: 214

GRADE & PURITY ≥95%

Synonyms

7-Bromofuro[3,2-c]pyridin-4(5H)-one|603301-02-6|7-bromo-5H-furo[3,2-c]pyridin-4-one|7-bromofuro[3,2-c]pyridine-4(5H)-one|MFCD11846190|7-bromo-4H,5H-furo[3,2-c]pyridin-4-one|Furo[3,2-c]pyridin-4(5H)-one, 7-bromo-|SCHEMBL2261528|DTXSID10591954|YFKFZPQHCJAUR

Storage

Temperatura ambiente

Shipped In

Normal

Specifications

Sinónimos

7-Bromofuro[3, 2-c]pyridin-4(5H)-one | 603301-02-6 | 7-bromo-5H-furo[3, 2-c]pyridin-4-one | 7-bromofuro[3, 2-c]pyridine-4(5H)-one | MFCD11846190 | 7-bromo-4H, 5H-furo[3, 2-c]pyridin-4-one | Furo[3, 2-c]pyridin-4(5H)-one, 7-bromo- | SCHEMBL2261528 | DTXSID10591954 | YFKFZPQHCJAUR

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Temperatura ambiente

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1=COC2=C1C(=O)NC=C2Br
• IUPAC Name: 7-bromo-5H-furo[3,2-c]pyridin-4-one
• InChIKey: YFKFZPQHCJAURO-UHFFFAOYSA-N
• INCHI: 1S/C7H4BrNO2/c8-5-3-9-7(10)4-1-2-11-6(4)5/h1-3H,(H,9,10)
• Isómeros SMILES: C1=COC2=C1C(=O)NC=C2Br
• Peso molecular: 214
• Reaxy-Rn: 9996311
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9996311&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Furopyridines
• Subclass: Furo[3,2-c]pyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Furo[3,2-c]pyridines
• Alternative Parents: Pyridinones Aryl bromides Heteroaromatic compounds Furans Lactams Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Furo[3,2-c]pyridine - Pyridinone - Aryl bromide - Aryl halide - Pyridine - Furan - Heteroaromatic compound - Lactam - Oxacycle - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 214.020 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 212.943 Da
• Monoisotopic Mass: 212.943 Da
• Topological Polar Surface Area: 42.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 226.000
• 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