Methyl 6-bromo-3-(methylamino)pyrazine-2-carboxylate - ≥98% , CAS No.13457-23-3

CAS: 13457-23-3 Cat. No.: M190630 Peso molecular: 246.06

GRADE & PURITY ≥98%

Synonyms

Methyl 6-bromo-3-(methylamino)pyrazine-2-carboxylate|13457-23-3|SCHEMBL23703085|DTXSID001220469|AKOS022186839|DS-8604|EN300-199157|N13229|A887882|Methyl6-bromo-3-(methylamino)pyrazine-2-carboxylate|Methyl 6-bromo-3-(methylamino)-2-pyrazinecarboxylate|METH

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Methyl 6-bromo-3-(methylamino)pyrazine-2-carboxylate | 13457-23-3 | SCHEMBL23703085 | DTXSID001220469 | AKOS022186839 | DS-8604 | EN300-199157 | N13229 | A887882 | Methyl6-bromo-3-(methylamino)pyrazine-2-carboxylate | Methyl 6-bromo-3-(methylamino)-2-pyrazinecarboxylate | METH

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CNC1=NC=C(N=C1C(=O)OC)Br
• IUPAC Name: methyl 6-bromo-3-(methylamino)pyrazine-2-carboxylate
• InChIKey: UKVSTTVEIRVEMS-UHFFFAOYSA-N
• INCHI: 1S/C7H8BrN3O2/c1-9-6-5(7(12)13-2)11-4(8)3-10-6/h3H,1-2H3,(H,9,10)
• Isómeros SMILES: CNC1=NC=C(N=C1C(=O)OC)Br
• Peso molecular: 246.06
• Reaxy-Rn: 744749
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=744749&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazines
      • Subclass Pyrazines
        • Level5 Pyrazine carboxylic acids and derivatives
          • Level6 Pyrazine carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazines
• Subclass: Pyrazines
• Intermediate Tree Nodes: Pyrazine carboxylic acids and derivatives
• Direct Parent: Pyrazine carboxylic acids
• Alternative Parents: Aminopyrazines Imidolactams Aryl bromides Vinylogous amides Methyl esters Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives Amines
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrazine carboxylic acid - Aminopyrazine - Aryl bromide - Aryl halide - Imidolactam - Heteroaromatic compound - Vinylogous amide - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrazine carboxylic acids. These are heterocyclic compounds containing a pyrazine ring substituted by one or more carboxylic acid groups.
• 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: 246.060 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 244.98 Da
• Monoisotopic Mass: 244.98 Da
• Topological Polar Surface Area: 64.099 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 191.000
• 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