[4-(2-trimethylsilylethynyl)-3-pyridinyl] acetate

C12H15NO2Si — CID 175899348

IUPAC[4-(2-trimethylsilylethynyl)-3-pyridinyl] acetate
SMILESCC(=O)Oc1cnccc1C#C[Si](C)(C)C
InChIInChI=1S/C12H15NO2Si/c1-10(14)15-12-9-13-7-5-11(12)6-8-16(2,3)4/h5,7,9H,1-4H3
InChIKeyRWDCYGAHAFZEQG-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.24
Rot. Bonds1

About [4-(2-trimethylsilylethynyl)-3-pyridinyl] acetate

[4-(2-trimethylsilylethynyl)-3-pyridinyl] acetate (PubChem CID 175899348) has the molecular formula C12H15NO2Si and a molecular weight of 233.34 g/mol. Its IUPAC name is [4-(2-trimethylsilylethynyl)-3-pyridinyl] acetate.

Molecular Properties

Compound Name[4-(2-trimethylsilylethynyl)-3-pyridinyl] acetate
PubChem CID175899348
Molecular FormulaC12H15NO2Si
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name[4-(2-trimethylsilylethynyl)-3-pyridinyl] acetate
SMILESCC(=O)Oc1cnccc1C#C[Si](C)(C)C
InChIInChI=1S/C12H15NO2Si/c1-10(14)15-12-9-13-7-5-11(12)6-8-16(2,3)4/h5,7,9H,1-4H3
InChIKeyRWDCYGAHAFZEQG-UHFFFAOYSA-N
XLogP2.24
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.24
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of [4-(2-trimethylsilylethynyl)-3-pyridinyl] acetate?
The IUPAC name of [4-(2-trimethylsilylethynyl)-3-pyridinyl] acetate (CID 175899348) is [4-(2-trimethylsilylethynyl)-3-pyridinyl] acetate.
What is the SMILES notation for [4-(2-trimethylsilylethynyl)-3-pyridinyl] acetate?
The canonical SMILES for [4-(2-trimethylsilylethynyl)-3-pyridinyl] acetate is CC(=O)Oc1cnccc1C#C[Si](C)(C)C.
What is the InChIKey of [4-(2-trimethylsilylethynyl)-3-pyridinyl] acetate?
The InChIKey is RWDCYGAHAFZEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2Si/c1-10(14)15-12-9-13-7-5-11(12)6-8-16(2,3)4/h5,7,9H,1-4H3.
What are the key properties of [4-(2-trimethylsilylethynyl)-3-pyridinyl] acetate?
[4-(2-trimethylsilylethynyl)-3-pyridinyl] acetate has a molecular weight of 233.34 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-trimethylsilylethynyl)-3-pyridinyl] acetate is sourced from PubChem (CID 175899348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).