Ethyl 2-bromo-6-methyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate - ≥98% , CAS No.125208-06-2

CAS: 125208-06-2 Cat. No.: E190304 Peso molecular: 284.11

GRADE & PURITY ≥98%

Synonyms

125208-06-2|Ethyl 2-bromo-6-methyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate|2-Bromo-6-methyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid ethyl ester|5H-Pyrrolo[2,3-b]pyrazine-7-carboxylic acid, 2-bromo-6-methyl-, ethyl ester|ZYRHBUINOLXYSO-UHFFFAOYSA-N|SCH

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

125208-06-2 | Ethyl 2-bromo-6-methyl-5H-pyrrolo[2, 3-b]pyrazine-7-carboxylate | 2-Bromo-6-methyl-5H-pyrrolo[2, 3-b]pyrazine-7-carboxylic acid ethyl ester | 5H-Pyrrolo[2, 3-b]pyrazine-7-carboxylic acid, 2-bromo-6-methyl-, ethyl ester | ZYRHBUINOLXYSO-UHFFFAOYSA-N | SCH

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CCOC(=O)C1=C(NC2=NC=C(N=C12)Br)C
• IUPAC Name: ethyl 2-bromo-6-methyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate
• InChIKey: ZYRHBUINOLXYSO-UHFFFAOYSA-N
• INCHI: 1S/C10H10BrN3O2/c1-3-16-10(15)7-5(2)13-9-8(7)14-6(11)4-12-9/h4H,3H2,1-2H3,(H,12,13)
• Isómeros SMILES: CCOC(=O)C1=C(NC2=NC=C(N=C12)Br)C
• Peso molecular: 284.11
• Reaxy-Rn: 5545207
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5545207&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyrrolopyrazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyrrolopyrazines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolopyrazines
• Alternative Parents: Pyrrole carboxylic acids and derivatives Substituted pyrroles Pyrazines Aryl bromides Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrrolopyrazine - Pyrrole-3-carboxylic acid or derivatives - Aryl bromide - Aryl halide - Pyrazine - Substituted pyrrole - Heteroaromatic compound - Vinylogous amide - Pyrrole - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 284.110 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 282.996 Da
• Monoisotopic Mass: 282.996 Da
• Topological Polar Surface Area: 67.900 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 277.000
• 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