1-((2-(triMethylsilyl)ethoxy)Methyl)-1H-pyrrolo[2,3-b]pyridin-2(3H)-one - ≥97% , CAS No.879132-48-6

CAS: 879132-48-6 Cat. No.: T177888 Molecular Weight: 264.4 PubChem CID: 57458886

GRADE & PURITY ≥97%

Synonyms

1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one | 1-((2-(Trimethylsilyl)ethoxy)methyl)-1H-pyrrolo[2,3-b]pyridin-2(3H)-one | 1-{[2-(trimethylsilyl)ethoxy]methyl}-1H,2H,3H-pyrrolo[2,3-b]pyridin-2-one | MFCD17214392

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2, 3-b]pyridin-2-one | 1-((2-(Trimethylsilyl)ethoxy)methyl)-1H-pyrrolo[2, 3-b]pyridin-2(3H)-one | 1-{[2-(trimethylsilyl)ethoxy]methyl}-1H, 2H, 3H-pyrrolo[2, 3-b]pyridin-2-one | MFCD17214392

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C[Si](C)(C)CCOCN1C(=O)CC2=C1N=CC=C2
• IUPAC Name: 1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one
• InChIKey: RCDIGHDOSSXBDL-UHFFFAOYSA-N
• INCHI: 1S/C13H20N2O2Si/c1-18(2,3)8-7-17-10-15-12(16)9-11-5-4-6-14-13(11)15/h4-6H,7-10H2,1-3H3
• Isomeric SMILES: C[Si](C)(C)CCOCN1C(=O)CC2=C1N=CC=C2
• PubChem CID: 57458886
• Molecular Weight: 264.4

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: Pyridines and derivatives Imidolactams Tertiary carboxylic acid amides Heteroaromatic compounds Tertiary amines Lactams Amino acids and derivatives Organic metalloid salts Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkylsilanes
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrrolopyridine - Pyridine - Imidolactam - Tertiary carboxylic acid amide - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Lactam - Tertiary amine - Carboxylic acid derivative - Organic metalloid salt - Azacycle - Alkylsilane - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Amine - Organosilicon compound - Hydrocarbon derivative - 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

Chemical and Physical Properties

• Molecular Weight: 264.390 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 264.129 Da
• Monoisotopic Mass: 264.129 Da
• Topological Polar Surface Area: 42.400 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 304.000
• 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

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