5-Bromopyrazolo[3,4-b]pyridine - ≥95%(HPLC) , CAS No.875781-17-2

CAS: 875781-17-2 Cat. No.: B152166 Fórmula: C₆H₄BrN₃ Peso molecular: 198.02 Número EC: 807-974-3

GRADE & PURITY ≥95%(HPLC)

Synonyms

AKOS000121167 | 1449693-24-6 | A842276 | 5-bromo-1h-pyrazolo [3,4-b]pyridine | 5-Bromo-1H-pyrazolo3,4-bpyridine | A842244 | AKOS005259709 | MFCD27988163 | AC-22768 | 5-bromo-7-azaindazole | DTXSID30654277 | 5-bromo-1H-pyrazolo[3,4-b]pyridine | PB12341 | 5

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AKOS000121167 | 1449693-24-6 | A842276 | 5-bromo-1h-pyrazolo [3,4-b]pyridine | 5-Bromo-1H-pyrazolo3,4-bpyridine | A842244 | AKOS005259709 | MFCD27988163 | AC-22768 | 5-bromo-7-azaindazole | DTXSID30654277 | 5-bromo-1H-pyrazolo[3,4-b]pyridine | PB12341 | 5

Especificaciones y pureza

≥95%(HPLC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%(HPLC)

Nombres e identificadores

Pubchem Sid

488200878

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488200878

Sonrisas canónicas

C1=C2C=NNC2=NC=C1Br

IUPAC Name

5-bromo-1H-pyrazolo[3,4-b]pyridine

InChIKey

BASYLPMLKGQZOG-UHFFFAOYSA-N

INCHI

1S/C6H4BrN3/c7-5-1-4-2-9-10-6(4)8-3-5/h1-3H,(H,8,9,10)

Isómeros SMILES

C1=C2C=NNC2=NC=C1Br

Peso molecular

198.02

Reaxy-Rn

11434713

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11434713&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyrazolopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyrazolopyridines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazolopyridines
• Alternative Parents: Pyridines and derivatives Aryl bromides Pyrazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrazolopyridine - Pyridine - Aryl halide - Aryl bromide - Heteroaromatic compound - Pyrazole - Azole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrazolopyridines. These are compounds containing a pyrazolopyridine skeleton, which consists of a pyrazole fused to a pyridine. Pyrazole is 5-membered ring consisting of three carbon atoms and two adjacent nitrogen centers. Pyridine is a 6-membered ring with four carbon and one nitrogen atoms.
• 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

• Punto de fusión (°C): 200 °C
• Peso molecular: 198.020 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 196.959 Da
• Monoisotopic Mass: 196.959 Da
• Topological Polar Surface Area: 41.600 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 130.000
• 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

Preguntas frecuentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥95% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 875781-17-2, the molecular formula is C6H4BrN3, and the molecular weight is 198.02 g/mol. InChIKey BASYLPMLKGQZOG-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.