1-[(2R)-2-(2-trimethylsilylethynyl)-2H-pyridin-1-yl]ethanone

C12H17NOSi — CID 102578804

IUPAC1-[(2R)-2-(2-trimethylsilylethynyl)-2H-pyridin-1-yl]ethanone
SMILESCC(=O)N1C=CC=C[C@@H]1C#C[Si](C)(C)C
InChIInChI=1S/C12H17NOSi/c1-11(14)13-9-6-5-7-12(13)8-10-15(2,3)4/h5-7,9,12H,1-4H3/t12-/m1/s1
InChIKeyUIFLUKSEDSZZKN-GFCCVEGCSA-N
MW219.36 g/mol
LogP2.17
Rot. Bonds

About 1-[(2R)-2-(2-trimethylsilylethynyl)-2H-pyridin-1-yl]ethanone

1-[(2R)-2-(2-trimethylsilylethynyl)-2H-pyridin-1-yl]ethanone (PubChem CID 102578804) has the molecular formula C12H17NOSi and a molecular weight of 219.36 g/mol. Its IUPAC name is 1-[(2R)-2-(2-trimethylsilylethynyl)-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-(2-trimethylsilylethynyl)-2H-pyridin-1-yl]ethanone
PubChem CID102578804
Molecular FormulaC12H17NOSi
Molecular Weight219.36 g/mol
Exact Mass219.11
IUPAC Name1-[(2R)-2-(2-trimethylsilylethynyl)-2H-pyridin-1-yl]ethanone
SMILESCC(=O)N1C=CC=C[C@@H]1C#C[Si](C)(C)C
InChIInChI=1S/C12H17NOSi/c1-11(14)13-9-6-5-7-12(13)8-10-15(2,3)4/h5-7,9,12H,1-4H3/t12-/m1/s1
InChIKeyUIFLUKSEDSZZKN-GFCCVEGCSA-N
XLogP2.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.36
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[(2R)-2-(2-trimethylsilylethynyl)-2H-pyridin-1-yl]ethanone?
The IUPAC name of 1-[(2R)-2-(2-trimethylsilylethynyl)-2H-pyridin-1-yl]ethanone (CID 102578804) is 1-[(2R)-2-(2-trimethylsilylethynyl)-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R)-2-(2-trimethylsilylethynyl)-2H-pyridin-1-yl]ethanone?
The canonical SMILES for 1-[(2R)-2-(2-trimethylsilylethynyl)-2H-pyridin-1-yl]ethanone is CC(=O)N1C=CC=C[C@@H]1C#C[Si](C)(C)C.
What is the InChIKey of 1-[(2R)-2-(2-trimethylsilylethynyl)-2H-pyridin-1-yl]ethanone?
The InChIKey is UIFLUKSEDSZZKN-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H17NOSi/c1-11(14)13-9-6-5-7-12(13)8-10-15(2,3)4/h5-7,9,12H,1-4H3/t12-/m1/s1.
What are the key properties of 1-[(2R)-2-(2-trimethylsilylethynyl)-2H-pyridin-1-yl]ethanone?
1-[(2R)-2-(2-trimethylsilylethynyl)-2H-pyridin-1-yl]ethanone has a molecular weight of 219.36 g/mol, XLogP of 2.17, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(2-trimethylsilylethynyl)-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 102578804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).