7-bromo-5H-pyrrolo[2,3-b]pyrazine - ≥97% , CAS No.56015-31-7

CAS: 56015-31-7 Cat. No.: B176796 Molecular Weight: 198.02

GRADE & PURITY ≥97%

Synonyms

7-bromo-5H-pyrrolo[2,3-b]pyrazine | 7-bromo-5H-pyrrolo[3,2-b]pyrazine | 3-BROMO-4,7-DIAZAINDOLE

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Synonyms

7-bromo-5H-pyrrolo[2, 3-b]pyrazine | 7-bromo-5H-pyrrolo[3, 2-b]pyrazine | 3-BROMO-4, 7-DIAZAINDOLE

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Protected from light

Shipped In

Wet ice

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

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1=CN=C2C(=N1)C(=CN2)Br
• IUPAC Name: 7-bromo-5H-pyrrolo[2,3-b]pyrazine
• InChIKey: BIVCAYYYCIWBLQ-UHFFFAOYSA-N
• INCHI: 1S/C6H4BrN3/c7-4-3-10-6-5(4)8-1-2-9-6/h1-3H,(H,9,10)
• Isomeric SMILES: C1=CN=C2C(=N1)C(=CN2)Br
• Molecular Weight: 198.02
• Reaxy-Rn: 607863
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=607863&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrrolopyrazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrrolopyrazines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolopyrazines
• Alternative Parents: Substituted pyrroles Pyrazines Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrrolopyrazine - Substituted pyrrole - Pyrazine - Aryl halide - Aryl bromide - Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrrolopyrazines. These are compounds containing a pyrrolopyrazine moiety, which consists of a pyrrole ring fused to a pyrazine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Pyrazine is a 6-membered ring consisting of six carbon atoms and two nitrogen centers at ring positions 1 and 4.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: light sensitive
• Molecular Weight: 198.020 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 196.959 Da
• Monoisotopic Mass: 196.959 Da
• Topological Polar Surface Area: 41.600 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 130.000
• 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