3-iodo-4-methoxy-1H-pyrrolo[2,3-b]pyridine - ≥97% , CAS No.928653-75-2

CAS: 928653-75-2 Cat. No.: I178264 Peso molecular: 274.06

GRADE & PURITY ≥97%

Synonyms

AB48804 | 3-Iodo-4-methoxy-1H-pyrrolo[2,3-b]pyridine | MFCD08741528 | AS-42584 | 3-IODO-4-METHOXY-7-AZAINDOLE | DTXSID10640118 | 3-Iodo-4-methoxy-1H-pyrrolo[2,3-b]pyridine, AldrichCPR | SY097454 | SCHEMBL1044715 | PGVRYUWFBSFOBO-UHFFFAOYSA-N | FT-0678184

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

AB48804 | 3-Iodo-4-methoxy-1H-pyrrolo[2, 3-b]pyridine | MFCD08741528 | AS-42584 | 3-IODO-4-METHOXY-7-AZAINDOLE | DTXSID10640118 | 3-Iodo-4-methoxy-1H-pyrrolo[2, 3-b]pyridine, AldrichCPR | SY097454 | SCHEMBL1044715 | PGVRYUWFBSFOBO-UHFFFAOYSA-N | FT-0678184

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504769756
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769756
• Sonrisas canónicas: COC1=C2C(=CNC2=NC=C1)I
• IUPAC Name: 3-iodo-4-methoxy-1H-pyrrolo[2,3-b]pyridine
• InChIKey: PGVRYUWFBSFOBO-UHFFFAOYSA-N
• INCHI: 1S/C8H7IN2O/c1-12-6-2-3-10-8-7(6)5(9)4-11-8/h2-4H,1H3,(H,10,11)
• Isómeros SMILES: COC1=C2C(=CNC2=NC=C1)I
• Peso molecular: 274.06
• Reaxy-Rn: 21003877
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21003877&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: Alkyl aryl ethers Substituted pyrroles Pyridines and derivatives Aryl iodides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrrolopyridine - Alkyl aryl ether - Aryl halide - Aryl iodide - Pyridine - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Ether - Azacycle - Organooxygen compound - Organonitrogen compound - Organoiodide - Organohalogen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - 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

• Peso molecular: 274.060 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 273.96 Da
• Monoisotopic Mass: 273.96 Da
• Topological Polar Surface Area: 37.900 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 167.000
• 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