ethyl 6-(2-hydroxyethyl)-2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate

C15H23NO3Si — CID 10803682

IUPACethyl 6-(2-hydroxyethyl)-2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate
SMILESCCOC(=O)N1C(CCO)=CC=CC1C#C[Si](C)(C)C
InChIInChI=1S/C15H23NO3Si/c1-5-19-15(18)16-13(9-11-17)7-6-8-14(16)10-12-20(2,3)4/h6-8,14,17H,5,9,11H2,1-4H3
InChIKeyWYDLWFJTZDMISC-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.53
Rot. Bonds3

About ethyl 6-(2-hydroxyethyl)-2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate

ethyl 6-(2-hydroxyethyl)-2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate (PubChem CID 10803682) has the molecular formula C15H23NO3Si and a molecular weight of 293.44 g/mol. Its IUPAC name is ethyl 6-(2-hydroxyethyl)-2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nameethyl 6-(2-hydroxyethyl)-2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate
PubChem CID10803682
Molecular FormulaC15H23NO3Si
Molecular Weight293.44 g/mol
Exact Mass293.14
IUPAC Nameethyl 6-(2-hydroxyethyl)-2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate
SMILESCCOC(=O)N1C(CCO)=CC=CC1C#C[Si](C)(C)C
InChIInChI=1S/C15H23NO3Si/c1-5-19-15(18)16-13(9-11-17)7-6-8-14(16)10-12-20(2,3)4/h6-8,14,17H,5,9,11H2,1-4H3
InChIKeyWYDLWFJTZDMISC-UHFFFAOYSA-N
XLogP2.53
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 6-methyl-2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate
CID 12853373
ethyl 6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate
CID 10763930
ethyl 2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate
CID 24812908

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(2-hydroxyethyl)-2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate?
The IUPAC name of ethyl 6-(2-hydroxyethyl)-2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate (CID 10803682) is ethyl 6-(2-hydroxyethyl)-2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate.
What is the SMILES notation for ethyl 6-(2-hydroxyethyl)-2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate?
The canonical SMILES for ethyl 6-(2-hydroxyethyl)-2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate is CCOC(=O)N1C(CCO)=CC=CC1C#C[Si](C)(C)C.
What is the InChIKey of ethyl 6-(2-hydroxyethyl)-2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate?
The InChIKey is WYDLWFJTZDMISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3Si/c1-5-19-15(18)16-13(9-11-17)7-6-8-14(16)10-12-20(2,3)4/h6-8,14,17H,5,9,11H2,1-4H3.
What are the key properties of ethyl 6-(2-hydroxyethyl)-2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate?
ethyl 6-(2-hydroxyethyl)-2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate has a molecular weight of 293.44 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(2-hydroxyethyl)-2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate is sourced from PubChem (CID 10803682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).