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2-chloro-7-iodo-5H-pyrrolo[2,3-b]pyrazine - 97%, high purity , CAS No.889447-20-5
Discover 2-chloro-7-iodo-5H-pyrrolo[2,3-b]pyrazine by Aladdin Scientific in 97% for only $3,503.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
2-Chloro-7-iodo-5H-pyrrolo[2,3-b]pyrazine | 889447-20-5 | SCHEMBL650607 | JYAUQLBWOPEZFN-UHFFFAOYSA-N | DTXSID701272930 | MFCD12755891 | AKOS024260309 | PB25471 | AS-33593 | CS-0051924 | FT-0705524 | A861376
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
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 iodides Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrrolopyrazine - Substituted pyrrole - Pyrazine - Aryl iodide - Aryl halide - Aryl chloride - Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organoiodide - Organochloride - 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.
Names and Identifiers
IUPAC Name
2-chloro-7-iodo-5H-pyrrolo[2,3-b]pyrazine
INCHI
InChI=1S/C6H3ClIN3/c7-4-2-10-6-5(11-4)3(8)1-9-6/h1-2H,(H,9,10)
InChIKey
JYAUQLBWOPEZFN-UHFFFAOYSA-N
Smiles
C1=C(C2=NC(=CN=C2N1)Cl)I
Isomeric SMILES
C1=C(C2=NC(=CN=C2N1)Cl)I
Molecular Weight
279.47
Reaxy-Rn
14556553
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14556553&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
279.460 g/mol
XLogP3
1.900
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
278.906 Da
Monoisotopic Mass
278.906 Da
Topological Polar Surface Area
41.600 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
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