5-Methoxy-4-azaindole - ≥95% , CAS No.17288-40-3

CAS: 17288-40-3 Cat. No.: M138367 Fórmula: C₈H₈N₂O Peso molecular: 148.16 Número CE: 630-671-0

GRADE & PURITY ≥95%

Synonyms

1H-pyrrolo[3,2-b]pyridine, 5-methoxy- | YXU | AKOS006282107 | 5-methoxy-pyrrolo[3,2-b]pyridine | 5-methoxypyrrolo-[3,2-b]pyridine | 5-methoxypyrrolo[3,2-b]pyridine | 5-Methoxy-4-azaindole | WTIFEVSWZUSXQL-UHFFFAOYSA-N | DTXSID90415902 | AM20070199 | DS-09

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

1H-pyrrolo[3,2-b]pyridine, 5-methoxy- | YXU | AKOS006282107 | 5-methoxy-pyrrolo[3,2-b]pyridine | 5-methoxypyrrolo-[3,2-b]pyridine | 5-methoxypyrrolo[3,2-b]pyridine | 5-Methoxy-4-azaindole | WTIFEVSWZUSXQL-UHFFFAOYSA-N | DTXSID90415902 | AM20070199 | DS-09

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥95%

Nomes e identificadores

Pubchem Sid

488195352

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488195352

Sorrisos canónicos

COC1=NC2=C(C=C1)NC=C2

IUPAC Name

5-methoxy-1H-pyrrolo[3,2-b]pyridine

InChIKey

WTIFEVSWZUSXQL-UHFFFAOYSA-N

INCHI

1S/C8H8N2O/c1-11-8-3-2-6-7(10-8)4-5-9-6/h2-5,9H,1H3

SMILES isoméricas

COC1=NC2=C(C=C1)NC=C2

WGK Alemanha

3

Peso molecular

148.16

Reaxy-Rn

775916

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=775916&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyrrolopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyrrolopyridines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolopyridines
• Alternative Parents: Alkyl aryl ethers Pyridines and derivatives Pyrroles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrrolopyridine - Alkyl aryl ether - Pyridine - Heteroaromatic compound - Pyrrole - Azacycle - Ether - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Ponto de fusão (°C): 108-112°C
• Peso molecular: 148.160 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 148.064 Da
• Monoisotopic Mass: 148.064 Da
• Topological Polar Surface Area: 37.900 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 140.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). 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 17288-40-3, the molecular formula is C8H8N2O, and the molecular weight is 148.16 g/mol. InChIKey WTIFEVSWZUSXQL-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.