6-Methyl-1H-pyrrolo[2,3-b]pyridine - ≥98% , CAS No.824-51-1

CAS: 824-51-1 Cat. No.: M195188 Peso molecular: 132.16 Número EC: 195-374-6

GRADE & PURITY ≥98%

Synonyms

YQDMUZFABFBKJN-UHFFFAOYSA-N | A864405 | AKOS006293131 | AB26035 | MFCD06659664 | SCHEMBL343400 | DS-16325 | DTXSID80466423 | 6-METHYL-1H-PYRROLO[2,3-B]PYRIDINE | AM804379 | 1H-PYRROLO[2,3-B]PYRIDINE, 6-METHYL- | SY023701 | FT-0688234 | J-518904 | 6-Methyl

Storage

Conservar a 2-8°C

Shipped In

Hielo húmedo

Specifications

Sinónimos

YQDMUZFABFBKJN-UHFFFAOYSA-N | A864405 | AKOS006293131 | AB26035 | MFCD06659664 | SCHEMBL343400 | DS-16325 | DTXSID80466423 | 6-METHYL-1H-PYRROLO[2, 3-B]PYRIDINE | AM804379 | 1H-PYRROLO[2, 3-B]PYRIDINE, 6-METHYL- | SY023701 | FT-0688234 | J-518904 | 6-Methyl

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C

Enviado en

Hielo húmedo

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504766444
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766444
• Sonrisas canónicas: CC1=NC2=C(C=C1)C=CN2
• IUPAC Name: 6-methyl-1H-pyrrolo[2,3-b]pyridine
• InChIKey: YQDMUZFABFBKJN-UHFFFAOYSA-N
• INCHI: 1S/C8H8N2/c1-6-2-3-7-4-5-9-8(7)10-6/h2-5H,1H3,(H,9,10)
• Isómeros SMILES: CC1=NC2=C(C=C1)C=CN2
• Peso molecular: 132.16
• Reaxy-Rn: 606596
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=606596&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: Methylpyridines Pyrroles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrrolopyridine - Methylpyridine - Pyridine - Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - 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: 132.160 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 132.069 Da
• Monoisotopic Mass: 132.069 Da
• Topological Polar Surface Area: 28.700 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 124.000
• 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