Ethyl 5-((trimethylsilyl)ethynyl)nicotinate

HCID 67047749

Notes Reactions

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Basic information

Standard SMILES: CCOC(=O)c1cncc(C#C[Si](C)(C)C)c1
InChIKey: LTPFVUJEJVTAOC-UHFFFAOYSA-N
Molecular formula: C13H17NO2Si
Average molar mass: 247.36 g/mol

Names & identifiers

Preferred name: Ethyl 5-((trimethylsilyl)ethynyl)nicotinate
IUPAC: ethyl 5-(2-trimethylsilylethynyl)pyridine-3-carboxylate

Names & synonyms

ETHYL 5-((TRIMETHYLSILYL)ETHYNYL)NICOTINATE866683-43-4SCHEMBL1477261LTPFVUJEJVTAOC-UHFFFAOYSA-NAB690095-TRIMETHYLSILANYLETHYNYL-NICOTINIC ACID ETHYL ESTER

Database identifiers

PubChem CID: 67047749

Properties

Computed structural properties

Topological polar surface area: 39.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 17
Formal charge: 0
Complexity: 334

Related reactions

6 records

New reaction record

HRID 115176As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 168505As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 606798As productuspto-grants-2011_03

HRID 606799As reactantuspto-grants-2011_03

HRID 606928As reactantuspto-grants-2011_03

HRID 944808As productValidation data from https://doi.org/10.1039/C8SC04228D

Compound notes

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