6-Hydroxy-5-azaindole - ≥97% , CAS No.70357-66-3

CAS: 70357-66-3 Cat. No.: H194685 Fórmula: C₇H₆N₂O Peso molecular: 134.14

GRADE & PURITY ≥97%

Synonyms

AKOS023400711 | I11287 | 1,5-DIHYDRO-6H-PYRROLO[3,2-C]PYRIDIN-6-ONE | DTXSID80696667 | 1,5-dihydropyrrolo[3,2-c]pyridin-6-one | AB92525 | 6-HYDROXY-5-AZAINDOLE | AS-49528 | 1H-pyrrolo[3,2-c]pyridin-6-ol | A866625 | AMY9907

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AKOS023400711 | I11287 | 1,5-DIHYDRO-6H-PYRROLO[3,2-C]PYRIDIN-6-ONE | DTXSID80696667 | 1,5-dihydropyrrolo[3,2-c]pyridin-6-one | AB92525 | 6-HYDROXY-5-AZAINDOLE | AS-49528 | 1H-pyrrolo[3,2-c]pyridin-6-ol | A866625 | AMY9907

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

Sorrisos canónicos

C1=CNC2=CC(=O)NC=C21

IUPAC Name

1,5-dihydropyrrolo[3,2-c]pyridin-6-one

InChIKey

VWIGDRAWFGYWCQ-UHFFFAOYSA-N

INCHI

1S/C7H6N2O/c10-7-3-6-5(4-9-7)1-2-8-6/h1-4,8H,(H,9,10)

SMILES isoméricas

C1=CNC2=CC(=O)NC=C21

Peso molecular

134.14

Reaxy-Rn

62877348

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=62877348&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: Pyridinones Vinylogous amides Pyrroles Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrrolopyridine - Pyridinone - Pyridine - Pyrrole - Vinylogous amide - Heteroaromatic compound - Lactam - Azacycle - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - 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

• Peso molecular: 134.140 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 134.048 Da
• Monoisotopic Mass: 134.048 Da
• Topological Polar Surface Area: 41.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 273.000
• 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