1-[6-(2-trimethylsilylethynyl)-3-pyridinyl]ethanol

C12H17NOSi — CID 172994132

IUPAC1-[6-(2-trimethylsilylethynyl)-3-pyridinyl]ethanol
SMILESCC(O)c1ccc(C#C[Si](C)(C)C)nc1
InChIInChI=1S/C12H17NOSi/c1-10(14)11-5-6-12(13-9-11)7-8-15(2,3)4/h5-6,9-10,14H,1-4H3
InChIKeyWDUCULSIEGVAEQ-UHFFFAOYSA-N
MW219.36 g/mol
LogP2.36
Rot. Bonds1

About 1-[6-(2-trimethylsilylethynyl)-3-pyridinyl]ethanol

1-[6-(2-trimethylsilylethynyl)-3-pyridinyl]ethanol (PubChem CID 172994132) has the molecular formula C12H17NOSi and a molecular weight of 219.36 g/mol. Its IUPAC name is 1-[6-(2-trimethylsilylethynyl)-3-pyridinyl]ethanol.

Molecular Properties

Compound Name1-[6-(2-trimethylsilylethynyl)-3-pyridinyl]ethanol
PubChem CID172994132
Molecular FormulaC12H17NOSi
Molecular Weight219.36 g/mol
Exact Mass219.11
IUPAC Name1-[6-(2-trimethylsilylethynyl)-3-pyridinyl]ethanol
SMILESCC(O)c1ccc(C#C[Si](C)(C)C)nc1
InChIInChI=1S/C12H17NOSi/c1-10(14)11-5-6-12(13-9-11)7-8-15(2,3)4/h5-6,9-10,14H,1-4H3
InChIKeyWDUCULSIEGVAEQ-UHFFFAOYSA-N
XLogP2.36
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-trimethylsilylethynyl)-3-pyridinyl]ethanol?
The IUPAC name of 1-[6-(2-trimethylsilylethynyl)-3-pyridinyl]ethanol (CID 172994132) is 1-[6-(2-trimethylsilylethynyl)-3-pyridinyl]ethanol.
What is the SMILES notation for 1-[6-(2-trimethylsilylethynyl)-3-pyridinyl]ethanol?
The canonical SMILES for 1-[6-(2-trimethylsilylethynyl)-3-pyridinyl]ethanol is CC(O)c1ccc(C#C[Si](C)(C)C)nc1.
What is the InChIKey of 1-[6-(2-trimethylsilylethynyl)-3-pyridinyl]ethanol?
The InChIKey is WDUCULSIEGVAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOSi/c1-10(14)11-5-6-12(13-9-11)7-8-15(2,3)4/h5-6,9-10,14H,1-4H3.
What are the key properties of 1-[6-(2-trimethylsilylethynyl)-3-pyridinyl]ethanol?
1-[6-(2-trimethylsilylethynyl)-3-pyridinyl]ethanol has a molecular weight of 219.36 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-trimethylsilylethynyl)-3-pyridinyl]ethanol is sourced from PubChem (CID 172994132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).