4-Chloro-5-methyl-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine - Reagent grade , CAS No.942920-17-4

CAS: 942920-17-4 Cat. No.: C479833 Molecular Weight: 322.96 EC Number: 107-028-3

GRADE & PURITY Reagent Grade

Synonyms

(S)-2-PHENYLPROPIONATEETHYL | FT-0742760 | 4-Chloro-5-methyl-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine | 4-Chloro-5-methyl-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine, AldrichCPR | DTXSID80640165 | MFCD09965881 | (4-chloro-5-methylpyrrolo[2,3-b]

Storage

Room temperature

Specifications

Synonyms

(S)-2-PHENYLPROPIONATEETHYL | FT-0742760 | 4-Chloro-5-methyl-1-(triisopropylsilyl)-1H-pyrrolo[2, 3-b]pyridine | 4-Chloro-5-methyl-1-(triisopropylsilyl)-1H-pyrrolo[2, 3-b]pyridine, AldrichCPR | DTXSID80640165 | MFCD09965881 | (4-chloro-5-methylpyrrolo[2, 3-b]

Specifications & Purity

Reagent grade

Legal Information

Product of Adesis

Storage

Room temperature

Grade

Reagent Grade

Names and Identifiers

• Canonical Smiles: CC1=CN=C2C(=C1Cl)C=CN2[Si](C(C)C)(C(C)C)C(C)C
• IUPAC Name: (4-chloro-5-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane
• InChIKey: WAROJOCZSCMOTE-UHFFFAOYSA-N
• INCHI: 1S/C17H27ClN2Si/c1-11(2)21(12(3)4,13(5)6)20-9-8-15-16(18)14(7)10-19-17(15)20/h8-13H,1-7H3
• Isomeric SMILES: CC1=CN=C2C(=C1Cl)C=CN2[Si](C(C)C)(C(C)C)C(C)C
• Molecular Weight: 322.96
• Reaxy-Rn: 15497945
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15497945&ln=

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: Methylpyridines Alkylarylsilanes Substituted pyrroles Aryl chlorides Trialkylheterosilanes Heteroaromatic compounds Organic metalloid salts N-silyl compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrrolopyridine - Methylpyridine - Alkylarylsilane - Aryl chloride - Aryl halide - Pyridine - Substituted pyrrole - Trialkylheterosilane - Heteroaromatic compound - Pyrrole - N-silyl compound - Organoheterosilane - Azacycle - Organic metalloid salt - Organic nitrogen compound - Organosilicon compound - Organonitrogen compound - Organochloride - Organic metalloid moeity - Organohalogen 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: 322.900 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 322.163 Da
• Monoisotopic Mass: 322.163 Da
• Topological Polar Surface Area: 17.800 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 337.000
• 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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