1-[6-(2-trimethylsilylethynyl)-3-pyridinyl]propan-2-ol

C13H19NOSi — CID 69330766

IUPAC1-[6-(2-trimethylsilylethynyl)-3-pyridinyl]propan-2-ol
SMILESCC(O)Cc1ccc(C#C[Si](C)(C)C)nc1
InChIInChI=1S/C13H19NOSi/c1-11(15)9-12-5-6-13(14-10-12)7-8-16(2,3)4/h5-6,10-11,15H,9H2,1-4H3
InChIKeyXSHFWNSFBDFHIQ-UHFFFAOYSA-N
MW233.39 g/mol
LogP2.23
Rot. Bonds2

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

1-[6-(2-trimethylsilylethynyl)-3-pyridinyl]propan-2-ol (PubChem CID 69330766) has the molecular formula C13H19NOSi and a molecular weight of 233.39 g/mol. Its IUPAC name is 1-[6-(2-trimethylsilylethynyl)-3-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name1-[6-(2-trimethylsilylethynyl)-3-pyridinyl]propan-2-ol
PubChem CID69330766
Molecular FormulaC13H19NOSi
Molecular Weight233.39 g/mol
Exact Mass233.12
IUPAC Name1-[6-(2-trimethylsilylethynyl)-3-pyridinyl]propan-2-ol
SMILESCC(O)Cc1ccc(C#C[Si](C)(C)C)nc1
InChIInChI=1S/C13H19NOSi/c1-11(15)9-12-5-6-13(14-10-12)7-8-16(2,3)4/h5-6,10-11,15H,9H2,1-4H3
InChIKeyXSHFWNSFBDFHIQ-UHFFFAOYSA-N
XLogP2.23
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.39
LogP ≤ 52.23
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]propan-2-ol?
The IUPAC name of 1-[6-(2-trimethylsilylethynyl)-3-pyridinyl]propan-2-ol (CID 69330766) is 1-[6-(2-trimethylsilylethynyl)-3-pyridinyl]propan-2-ol.
What is the SMILES notation for 1-[6-(2-trimethylsilylethynyl)-3-pyridinyl]propan-2-ol?
The canonical SMILES for 1-[6-(2-trimethylsilylethynyl)-3-pyridinyl]propan-2-ol is CC(O)Cc1ccc(C#C[Si](C)(C)C)nc1.
What is the InChIKey of 1-[6-(2-trimethylsilylethynyl)-3-pyridinyl]propan-2-ol?
The InChIKey is XSHFWNSFBDFHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOSi/c1-11(15)9-12-5-6-13(14-10-12)7-8-16(2,3)4/h5-6,10-11,15H,9H2,1-4H3.
What are the key properties of 1-[6-(2-trimethylsilylethynyl)-3-pyridinyl]propan-2-ol?
1-[6-(2-trimethylsilylethynyl)-3-pyridinyl]propan-2-ol has a molecular weight of 233.39 g/mol, XLogP of 2.23, 2 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]propan-2-ol is sourced from PubChem (CID 69330766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).