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5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid - 97%, high purity , CAS No.502141-03-9
Basic Description
Synonyms
5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid | 502141-03-9 | MLS003115131 | MFCD17015977 | NSC220272 | 5H-Pyrrolo[2,3-b]pyrazine-7-carboxylicacid | SCHEMBL2277209 | SCHEMBL2277214 | CHEMBL2138774 | DTXSID90418332 | JNXHWZHCSSQBRN-UHFFFAOYSA-N | AMY11787 | AKOS022967480 | NSC-220272
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
Pyrrole carboxylic acids Substituted pyrroles Pyrazines Vinylogous amides Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrrolopyrazine - Pyrrole-3-carboxylic acid - Pyrrole-3-carboxylic acid or derivatives - Pyrazine - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Vinylogous amide - Carboxylic acid derivative - Carboxylic acid - Azacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen 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.
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
INCHI
InChI=1S/C7H5N3O2/c11-7(12)4-3-10-6-5(4)8-1-2-9-6/h1-3H,(H,9,10)(H,11,12)
InChIKey
JNXHWZHCSSQBRN-UHFFFAOYSA-N
Smiles
C1=CN=C2C(=N1)C(=CN2)C(=O)O
Isomeric SMILES
C1=CN=C2C(=N1)C(=CN2)C(=O)O
Molecular Weight
163.136
Reaxy-Rn
30808263
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30808263&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
163.130 g/mol
XLogP3
-0.100
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
Exact Mass
163.038 Da
Monoisotopic Mass
163.038 Da
Topological Polar Surface Area
78.900 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
197.000
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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