5-Bromo-7-chloro-1-(triisopropylsilyl)-1H-pyrrolo[2,3-c]pyridine , CAS No.1198096-80-8

CAS: 1198096-80-8 Cat. No.: B166367 Molecular Weight: 387.82 PubChem CID: 46737909

Synonyms

AKOS015834469 | (5-bromo-7-chloropyrrolo[2,3-c]pyridin-1-yl)-tri(propan-2-yl)silane | YXB09680 | 1198096-80-8 | 5-Bromo-7-chloro-1-(triisopropylsilyl)-1H-pyrrolo[2,3-c]pyridine | 5-Bromo-7-chloro-1-(triisopropylsilyl)-1H-pyrrolo[2,3-c]pyridine, AldrichCPR

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

AKOS015834469 | (5-bromo-7-chloropyrrolo[2, 3-c]pyridin-1-yl)-tri(propan-2-yl)silane | YXB09680 | 1198096-80-8 | 5-Bromo-7-chloro-1-(triisopropylsilyl)-1H-pyrrolo[2, 3-c]pyridine | 5-Bromo-7-chloro-1-(triisopropylsilyl)-1H-pyrrolo[2, 3-c]pyridine, AldrichCPR

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

• Canonical Smiles: CC(C)[Si](C(C)C)(C(C)C)N1C=CC2=CC(=NC(=C21)Cl)Br
• IUPAC Name: (5-bromo-7-chloropyrrolo[2,3-c]pyridin-1-yl)-tri(propan-2-yl)silane
• InChIKey: XIWAAJIFPHPLFE-UHFFFAOYSA-N
• INCHI: 1S/C16H24BrClN2Si/c1-10(2)21(11(3)4,12(5)6)20-8-7-13-9-14(17)19-16(18)15(13)20/h7-12H,1-6H3
• Isomeric SMILES: CC(C)[Si](C(C)C)(C(C)C)N1C=CC2=CC(=NC(=C21)Cl)Br
• WGK Germany: 3
• PubChem CID: 46737909
• Molecular Weight: 387.82

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: Polyhalopyridines Alkylarylsilanes 2-halopyridines Substituted pyrroles Aryl chlorides Aryl bromides Trialkylheterosilanes Heteroaromatic compounds Organic metalloid salts N-silyl compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrrolopyridine - Polyhalopyridine - 2-halopyridine - Alkylarylsilane - Aryl bromide - Aryl chloride - Aryl halide - Pyridine - Substituted pyrrole - Trialkylheterosilane - Pyrrole - Heteroaromatic compound - N-silyl compound - Organoheterosilane - Azacycle - Organic metalloid salt - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organobromide - Organic metalloid moeity - Organohalogen compound - Organosilicon 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

Chemical and Physical Properties

• Molecular Weight: 387.800 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 386.058 Da
• Monoisotopic Mass: 386.058 Da
• Topological Polar Surface Area: 17.800 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 342.000
• 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

XLogP3