3-Bromo-7-azaindole - ≥98% , CAS No.74420-15-8

CAS: 74420-15-8 Cat. No.: B122919 Peso molecular: 197.03 Beilstein Registry Number: 23(4)1107 Número EC: 625-374-8

GRADE & PURITY ≥98%

Synonyms

3-Bromo-7-azaindole | AC-3102 | SCHEMBL23915 | 2R-0634 | DTXSID80420606 | SY003833 | NSC8021 | GS-3326 | 1H-PYRROLO[2,3-B]PYRIDINE, 3-BROMO- | 3-Bromo-7-aza indole | EN300-304836 | 7-(3-(Trifluoromethoxy)phenyl)indole-3-carboxaldehyde | AM20061481 | A8381

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

Useful starter in 7-azaindole chemistry.

Specifications

Sinónimos

3-Bromo-7-azaindole | AC-3102 | SCHEMBL23915 | 2R-0634 | DTXSID80420606 | SY003833 | NSC8021 | GS-3326 | 1H-PYRROLO[2, 3-B]PYRIDINE, 3-BROMO- | 3-Bromo-7-aza indole | EN300-304836 | 7-(3-(Trifluoromethoxy)phenyl)indole-3-carboxaldehyde | AM20061481 | A8381

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488195589
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195589
• Sonrisas canónicas: C1=CC2=C(NC=C2Br)N=C1
• IUPAC Name: 3-bromo-1H-pyrrolo[2,3-b]pyridine
• InChIKey: VJDGIJDCXIEXPF-UHFFFAOYSA-N
• INCHI: 1S/C7H5BrN2/c8-6-4-10-7-5(6)2-1-3-9-7/h1-4H,(H,9,10)
• Isómeros SMILES: C1=CC2=C(NC=C2Br)N=C1
• WGK Alemania: 3
• Número ONU: 2811
• Peso molecular: 197.03
• Beilstein: 23(4)1107
• Reaxy-Rn: 119335
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=119335&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyrrolopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyrrolopyridines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolopyridines
• Alternative Parents: Substituted pyrroles Pyridines and derivatives Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrrolopyridine - Substituted pyrrole - Pyridine - Aryl halide - Aryl bromide - Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrrolopyridines. These are compounds containing a pyrrolopyridine moiety, which consists of a pyrrole ring fused to a pyridine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Air Sensitive
• Punto de fusión (°C): 188°C
• Peso molecular: 197.030 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 195.964 Da
• Monoisotopic Mass: 195.964 Da
• Topological Polar Surface Area: 28.700 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 129.000
• 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