3-ethynyl-1H-pyrrolo[2,3-b]pyridine - ≥97% , CAS No.1380307-98-1

CAS: 1380307-98-1 Cat. No.: E628772 Molecular Weight: 142.16 PubChem CID: 112704294

GRADE & PURITY ≥97%

Synonyms

3-ethynyl-1H-pyrrolo[2,3-b]pyridine | 1380307-98-1 | SB14306 | E79957 | EN300-821253

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

3-ethynyl-1H-pyrrolo[2, 3-b]pyridine | 1380307-98-1 | SB14306 | E79957 | EN300-821253

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C#CC1=CNC2=C1C=CC=N2
• IUPAC Name: 3-ethynyl-1H-pyrrolo[2,3-b]pyridine
• InChIKey: ATJRDGOAKWWOJY-UHFFFAOYSA-N
• INCHI: 1S/C9H6N2/c1-2-7-6-11-9-8(7)4-3-5-10-9/h1,3-6H,(H,10,11)
• Isomeric SMILES: C#CC1=CNC2=C1C=CC=N2
• PubChem CID: 112704294
• Molecular Weight: 142.16

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrrolopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrrolopyridines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolopyridines
• Alternative Parents: Substituted pyrroles Pyridines and derivatives Heteroaromatic compounds Azacyclic compounds Acetylides Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrrolopyridine - Substituted pyrrole - Pyridine - Heteroaromatic compound - Pyrrole - Acetylide - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: 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