5-(Benzyloxy)-1H-pyrrolo[2,3-c]pyridine - ≥98% , CAS No.17288-54-9

CAS: 17288-54-9 Cat. No.: P491315 Peso molecular: 224.26 PubChem CID: 46856458

GRADE & PURITY ≥98%

Synonyms

DS-17851 | MFCD09038914 | 5-(benzyloxy)-1H-pyrrolo[2,3-c]pyridine | AKOS007930072 | 5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridine | FT-0658939 | A811462 | 5-Benzyloxy-6-azaindole | SCHEMBL5103334 | DTXSID90676854

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

DS-17851 | MFCD09038914 | 5-(benzyloxy)-1H-pyrrolo[2, 3-c]pyridine | AKOS007930072 | 5-phenylmethoxy-1H-pyrrolo[2, 3-c]pyridine | FT-0658939 | A811462 | 5-Benzyloxy-6-azaindole | SCHEMBL5103334 | DTXSID90676854

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488201383
• Sonrisas canónicas: C1=CC=C(C=C1)COC2=NC=C3C(=C2)C=CN3
• IUPAC Name: 5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridine
• InChIKey: GKJXHZKWAPDZIF-UHFFFAOYSA-N
• INCHI: 1S/C14H12N2O/c1-2-4-11(5-3-1)10-17-14-8-12-6-7-15-13(12)9-16-14/h1-9,15H,10H2
• Isómeros SMILES: C1=CC=C(C=C1)COC2=NC=C3C(=C2)C=CN3
• PubChem CID: 46856458
• Peso molecular: 224.26

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 Pyridines and derivatives Benzene and substituted derivatives Pyrroles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrrolopyridine - Alkyl aryl ether - Benzenoid - Pyridine - Monocyclic benzene moiety - Heteroaromatic compound - Pyrrole - Azacycle - Ether - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen 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

• Peso molecular: 224.260 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 224.095 Da
• Monoisotopic Mass: 224.095 Da
• Topological Polar Surface Area: 37.900 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 240.000
• 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