Methyl 6-bromopyrazolo[1,5-a]pyrimidine-2-carboxylate - ≥95% , CAS No.1005209-40-4

CAS: 1005209-40-4 Cat. No.: M178705 Peso molecular: 256.1

GRADE & PURITY ≥95%

Synonyms

P11960 | DTXSID70677763 | AKOS015835047 | EN300-232800 | HE-0708 | PB31811 | 1005209-40-4 | A1-00213 | methyl 6-bromopyrazolo[1,5-a]pyrimidine-2-carboxylate | 6-Bromo-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid methyl ester | 6-bromopyrazolo[1,5-a]pyrimid

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

P11960 | DTXSID70677763 | AKOS015835047 | EN300-232800 | HE-0708 | PB31811 | 1005209-40-4 | A1-00213 | methyl 6-bromopyrazolo[1, 5-a]pyrimidine-2-carboxylate | 6-Bromo-pyrazolo[1, 5-a]pyrimidine-2-carboxylic acid methyl ester | 6-bromopyrazolo[1, 5-a]pyrimid

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: COC(=O)C1=NN2C=C(C=NC2=C1)Br
• IUPAC Name: methyl 6-bromopyrazolo[1,5-a]pyrimidine-2-carboxylate
• InChIKey: QWQDSBMSESLQEC-UHFFFAOYSA-N
• INCHI: 1S/C8H6BrN3O2/c1-14-8(13)6-2-7-10-3-5(9)4-12(7)11-6/h2-4H,1H3
• Isómeros SMILES: COC(=O)C1=NN2C=C(C=NC2=C1)Br
• Peso molecular: 256.1
• Reaxy-Rn: 15613146
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15613146&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyrazolopyrimidines
      • Subclass Pyrazolo[1,5-a]pyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyrazolopyrimidines
• Subclass: Pyrazolo[1,5-a]pyrimidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazolo[1,5-a]pyrimidines
• Alternative Parents: Pyrazole carboxylic acids and derivatives Halopyrimidines Aryl bromides Methyl esters Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrazolo[1,5-a]pyrimidine - Pyrazole-5-carboxylic acid or derivatives - Pyrazole-3-carboxylic acid or derivatives - Halopyrimidine - Aryl bromide - Aryl halide - Pyrimidine - Azole - Heteroaromatic compound - Methyl ester - Pyrazole - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrazolo[1,5-a]pyrimidines. These are aromatic heterocyclic compounds containing a pyrazolo[3,4-d]pyrimidine ring system, which consists of a pyrazole ring fused to and sharing exactly one nitrogen atom with a pyrimidine ring.
• 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: 256.060 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 254.964 Da
• Monoisotopic Mass: 254.964 Da
• Topological Polar Surface Area: 56.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 239.000
• 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