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3-bromoimidazo[1,2-a]pyrazine - 97%, high purity , CAS No.57948-41-1
Basic Description
Synonyms
EN300-1072848 | SY007256 | BBL100399 | 3-Bromo-imidazo[1,2-a]pyrazine | 3-bromoimidazo[1,2-a]pyrazine | PB32412 | FS-2809 | 3-bromoimidazo [1.2-a] pyrazine | J-512102 | STL554193 | MFCD06245372 | AC-29501 | OZNGJOXLTIENCF-UHFFFAOYSA-N | 3-Bromoimidazo[1,2
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
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 bromides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Imidazopyrazine - Aryl bromide - Aryl halide - N-substituted imidazole - Pyrazine - Azole - Imidazole - Heteroaromatic compound - Azacycle - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organopnictogen compound - 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.
Names and Identifiers
Pubchem Sid
504761788
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504761788
IUPAC Name
3-bromoimidazo[1,2-a]pyrazine
INCHI
InChI=1S/C6H4BrN3/c7-5-3-9-6-4-8-1-2-10(5)6/h1-4H
InChIKey
OZNGJOXLTIENCF-UHFFFAOYSA-N
Smiles
C1=CN2C(=CN=C2C=N1)Br
Isomeric SMILES
C1=CN2C(=CN=C2C=N1)Br
WGK Germany
3
Molecular Weight
198.023
Reaxy-Rn
607440
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=607440&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
191-196°C
Molecular Weight
198.020 g/mol
XLogP3
1.700
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
196.959 Da
Monoisotopic Mass
196.959 Da
Topological Polar Surface Area
30.200 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
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E2331309