methyl 4-fluoro-1-[tris(propan-2-yl)silyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate - ≥97% , CAS No.685513-92-2

CAS: 685513-92-2 Cat. No.: M634370 Peso molecular: 350.51 PubChem CID: 11187228

GRADE & PURITY ≥97%

Synonyms

MFCD11616413 | P11170 | methyl 4-fluoro-1-[tris(propan-2-yl)silyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate | Methyl 4-fluoro-1-[tri(propan-2-yl)silyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate | PB34632 | DTXSID80458161 | methyl 4-fluoro-1-tri(propan-2-yl)s

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

MFCD11616413 | P11170 | methyl 4-fluoro-1-[tris(propan-2-yl)silyl]-1H-pyrrolo[2, 3-b]pyridine-5-carboxylate | Methyl 4-fluoro-1-[tri(propan-2-yl)silyl]-1H-pyrrolo[2, 3-b]pyridine-5-carboxylate | PB34632 | DTXSID80458161 | methyl 4-fluoro-1-tri(propan-2-yl)s

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CC(C)[Si](C(C)C)(C(C)C)N1C=CC2=C(C(=CN=C21)C(=O)OC)F
• IUPAC Name: methyl 4-fluoro-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-5-carboxylate
• InChIKey: XZCYLQFNGHAFPO-UHFFFAOYSA-N
• INCHI: 1S/C18H27FN2O2Si/c1-11(2)24(12(3)4,13(5)6)21-9-8-14-16(19)15(18(22)23-7)10-20-17(14)21/h8-13H,1-7H3
• Isómeros SMILES: CC(C)[Si](C(C)C)(C(C)C)N1C=CC2=C(C(=CN=C21)C(=O)OC)F
• CAS alternativo: 685513-92-2
• PubChem CID: 11187228
• Peso molecular: 350.51

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: Pyridinecarboxylic acids Alkylarylsilanes Substituted pyrroles Aryl fluorides Vinylogous halides Trialkylheterosilanes Heteroaromatic compounds Methyl esters Azacyclic compounds Organic metalloid salts N-silyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds Organooxygen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Pyrrolopyridine - Alkylarylsilane - Aryl fluoride - Aryl halide - Pyridine - Substituted pyrrole - Trialkylheterosilane - Pyrrole - Heteroaromatic compound - Methyl ester - Vinylogous halide - Carboxylic acid ester - N-silyl compound - Azacycle - Organic metalloid salt - Organoheterosilane - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organic metalloid moeity - Organohalogen compound - Organosilicon compound - Organic nitrogen compound - Organic oxide - 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: 350.500 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 350.183 Da
• Monoisotopic Mass: 350.183 Da
• Topological Polar Surface Area: 44.100 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 437.000
• 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