6-Bromo-3-iodoimidazo[1,2-a]pyrazine - ≥95% , CAS No.1245644-42-1

CAS: 1245644-42-1 Cat. No.: B180544 Molecular Weight: 323.9 EC Number: 834-265-6

GRADE & PURITY ≥95%

Synonyms

QQRGSZAMEYFXCS-UHFFFAOYSA-N | 1245644-42-1 | 6-bromo-3-iodo-Imidazo[1,2-a]pyrazine | 6-Bromo-3-iodoimidazo[1,2-a]pyrazine | FT-0729482 | DTXSID40718278 | BCP15540 | MFCD18072708 | Z1269126745 | SCHEMBL14764619 | A847589 | Imidazo[1,2-a]pyrazine, 6-bromo-3

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

QQRGSZAMEYFXCS-UHFFFAOYSA-N | 1245644-42-1 | 6-bromo-3-iodo-Imidazo[1, 2-a]pyrazine | 6-Bromo-3-iodoimidazo[1, 2-a]pyrazine | FT-0729482 | DTXSID40718278 | BCP15540 | MFCD18072708 | Z1269126745 | SCHEMBL14764619 | A847589 | Imidazo[1, 2-a]pyrazine, 6-bromo-3

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

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

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1=C(N2C=C(N=CC2=N1)Br)I
• IUPAC Name: 6-bromo-3-iodoimidazo[1,2-a]pyrazine
• InChIKey: QQRGSZAMEYFXCS-UHFFFAOYSA-N
• INCHI: 1S/C6H3BrIN3/c7-4-3-11-5(8)1-10-6(11)2-9-4/h1-3H
• Isomeric SMILES: C1=C(N2C=C(N=CC2=N1)Br)I
• Molecular Weight: 323.9
• Reaxy-Rn: 23419602
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23419602&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Imidazopyrazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Imidazopyrazines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidazopyrazines
• Alternative Parents: Pyrazines N-substituted imidazoles Aryl iodides Aryl bromides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Imidazopyrazine - Aryl bromide - Aryl halide - Aryl iodide - Pyrazine - N-substituted imidazole - Heteroaromatic compound - Azole - Imidazole - Azacycle - Organohalogen compound - Organoiodide - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Organobromide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as imidazopyrazines. These are organic heteropolycyclic compounds containing a pyrazine ring fused to an imidazole ring. These also include hydrogenated derivatives of the imidazopyrazine moiety. Imidazole is 5-membered ring consisting of three carbon atoms, and two nitrogen centers at the 1- and 3-positions. 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

Chemical and Physical Properties

• Sensitivity: light sensitive
• Molecular Weight: 323.920 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 322.856 Da
• Monoisotopic Mass: 322.856 Da
• Topological Polar Surface Area: 30.200 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