phenyl-[2-(2-trimethylsilylethynyl)-3-pyridinyl]methanone

C17H17NOSi — CID 101446196

IUPACphenyl-[2-(2-trimethylsilylethynyl)-3-pyridinyl]methanone
SMILESC[Si](C)(C)C#Cc1ncccc1C(=O)c1ccccc1
InChIInChI=1S/C17H17NOSi/c1-20(2,3)13-11-16-15(10-7-12-18-16)17(19)14-8-5-4-6-9-14/h4-10,12H,1-3H3
InChIKeyIJHWHQZETRXSIJ-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.54
Rot. Bonds2

About phenyl-[2-(2-trimethylsilylethynyl)-3-pyridinyl]methanone

phenyl-[2-(2-trimethylsilylethynyl)-3-pyridinyl]methanone (PubChem CID 101446196) has the molecular formula C17H17NOSi and a molecular weight of 279.42 g/mol. Its IUPAC name is phenyl-[2-(2-trimethylsilylethynyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Namephenyl-[2-(2-trimethylsilylethynyl)-3-pyridinyl]methanone
PubChem CID101446196
Molecular FormulaC17H17NOSi
Molecular Weight279.42 g/mol
Exact Mass279.11
IUPAC Namephenyl-[2-(2-trimethylsilylethynyl)-3-pyridinyl]methanone
SMILESC[Si](C)(C)C#Cc1ncccc1C(=O)c1ccccc1
InChIInChI=1S/C17H17NOSi/c1-20(2,3)13-11-16-15(10-7-12-18-16)17(19)14-8-5-4-6-9-14/h4-10,12H,1-3H3
InChIKeyIJHWHQZETRXSIJ-UHFFFAOYSA-N
XLogP3.54
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze phenyl-[2-(2-trimethylsilylethynyl)-3-pyridinyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of phenyl-[2-(2-trimethylsilylethynyl)-3-pyridinyl]methanone?
The IUPAC name of phenyl-[2-(2-trimethylsilylethynyl)-3-pyridinyl]methanone (CID 101446196) is phenyl-[2-(2-trimethylsilylethynyl)-3-pyridinyl]methanone.
What is the SMILES notation for phenyl-[2-(2-trimethylsilylethynyl)-3-pyridinyl]methanone?
The canonical SMILES for phenyl-[2-(2-trimethylsilylethynyl)-3-pyridinyl]methanone is C[Si](C)(C)C#Cc1ncccc1C(=O)c1ccccc1.
What is the InChIKey of phenyl-[2-(2-trimethylsilylethynyl)-3-pyridinyl]methanone?
The InChIKey is IJHWHQZETRXSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NOSi/c1-20(2,3)13-11-16-15(10-7-12-18-16)17(19)14-8-5-4-6-9-14/h4-10,12H,1-3H3.
What are the key properties of phenyl-[2-(2-trimethylsilylethynyl)-3-pyridinyl]methanone?
phenyl-[2-(2-trimethylsilylethynyl)-3-pyridinyl]methanone has a molecular weight of 279.42 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[2-(2-trimethylsilylethynyl)-3-pyridinyl]methanone is sourced from PubChem (CID 101446196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).