ethyl 2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate

C13H19NO2Si — CID 24812908

IUPACethyl 2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate
SMILESCCOC(=O)N1C=CC=CC1C#C[Si](C)(C)C
InChIInChI=1S/C13H19NO2Si/c1-5-16-13(15)14-10-7-6-8-12(14)9-11-17(2,3)4/h6-8,10,12H,5H2,1-4H3
InChIKeyIRVVNDPSKDAZQW-UHFFFAOYSA-N
MW249.39 g/mol
LogP2.78
Rot. Bonds1

About ethyl 2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate

ethyl 2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate (PubChem CID 24812908) has the molecular formula C13H19NO2Si and a molecular weight of 249.39 g/mol. Its IUPAC name is ethyl 2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate
PubChem CID24812908
Molecular FormulaC13H19NO2Si
Molecular Weight249.39 g/mol
Exact Mass249.12
IUPAC Nameethyl 2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate
SMILESCCOC(=O)N1C=CC=CC1C#C[Si](C)(C)C
InChIInChI=1S/C13H19NO2Si/c1-5-16-13(15)14-10-7-6-8-12(14)9-11-17(2,3)4/h6-8,10,12H,5H2,1-4H3
InChIKeyIRVVNDPSKDAZQW-UHFFFAOYSA-N
XLogP2.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.39
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate
CID 12853371
methyl 6-methyl-2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate
CID 12853373
ethyl 2-hex-1-ynyl-2H-pyridine-1-carboxylate
CID 24813164
methyl 2-pent-1-ynyl-2H-pyridine-1-carboxylate
CID 135085469
ethyl 2-methyl-2H-pyridine-1-carboxylate
CID 12955680
methyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-2H-pyridine-1-carboxylate
CID 66731637
ethyl 6-(2-hydroxyethyl)-2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate
CID 10803682
ethyl 2-ethynyl-2H-pyridine-1-carboxylate
CID 15183299
ethyl (2R)-2-ethynyl-2H-pyridine-1-carboxylate
CID 93513092
ethyl (2S)-2-ethynyl-2H-pyridine-1-carboxylate
CID 93513093
methyl (2R)-2-hex-1-ynyl-2H-pyridine-1-carboxylate
CID 102323949

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate?
The IUPAC name of ethyl 2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate (CID 24812908) is ethyl 2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate.
What is the SMILES notation for ethyl 2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate?
The canonical SMILES for ethyl 2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate is CCOC(=O)N1C=CC=CC1C#C[Si](C)(C)C.
What is the InChIKey of ethyl 2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate?
The InChIKey is IRVVNDPSKDAZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2Si/c1-5-16-13(15)14-10-7-6-8-12(14)9-11-17(2,3)4/h6-8,10,12H,5H2,1-4H3.
What are the key properties of ethyl 2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate?
ethyl 2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate has a molecular weight of 249.39 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate is sourced from PubChem (CID 24812908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).