Ethyl 4-bromo-1H-pyrrolo[2,3-b]pyridine-2-carboxylate - ≥96% , CAS No.942920-55-0

CAS: 942920-55-0 Cat. No.: E195978 Peso molecular: 269.09

GRADE & PURITY ≥96%

Synonyms

DTXSID70659706 | SCHEMBL3603471 | Ethyl 4-Bromo-7-azaindole-2-carboxylate | FT-0645522 | ethyl 4-bromanyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylate | BCP07197 | DS-10835 | SY104971 | MFCD11518924 | ethyl 4-bromo-1H-pyrrolo [2,3-b]pyridine -2-carboxylate | A

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Sinónimos

DTXSID70659706 | SCHEMBL3603471 | Ethyl 4-Bromo-7-azaindole-2-carboxylate | FT-0645522 | ethyl 4-bromanyl-1H-pyrrolo[2, 3-b]pyridine-2-carboxylate | BCP07197 | DS-10835 | SY104971 | MFCD11518924 | ethyl 4-bromo-1H-pyrrolo [2, 3-b]pyridine -2-carboxylate | A

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥96%

Nombres e identificadores

• Sonrisas canónicas: CCOC(=O)C1=CC2=C(C=CN=C2N1)Br
• IUPAC Name: ethyl 4-bromo-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
• InChIKey: VLZWUULVFAASBC-UHFFFAOYSA-N
• INCHI: 1S/C10H9BrN2O2/c1-2-15-10(14)8-5-6-7(11)3-4-12-9(6)13-8/h3-5H,2H2,1H3,(H,12,13)
• Isómeros SMILES: CCOC(=O)C1=CC2=C(C=CN=C2N1)Br
• Peso molecular: 269.09
• Reaxy-Rn: 15512837
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15512837&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyrrolopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyrrolopyridines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolopyridines
• Alternative Parents: Pyrrole carboxylic acids and derivatives Substituted pyrroles Pyridines and derivatives Aryl bromides Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrrolopyridine - Pyrrole-2-carboxylic acid or derivatives - Aryl bromide - Aryl halide - Pyridine - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrrolopyridines. These are compounds containing a pyrrolopyridine moiety, which consists of a pyrrole ring fused to a pyridine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.
• 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

• Sensibilidad: Light sensitive
• Peso molecular: 269.090 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 267.985 Da
• Monoisotopic Mass: 267.985 Da
• Topological Polar Surface Area: 55.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 250.000
• 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