iodomethyl-dimethyl-[2-(2-pyridin-2-ylethynyl)phenyl]silane

C16H16INSi — CID 132837251

IUPACiodomethyl-dimethyl-[2-(2-pyridin-2-ylethynyl)phenyl]silane
SMILESC[Si](C)(CI)c1ccccc1C#Cc1ccccn1
InChIInChI=1S/C16H16INSi/c1-19(2,13-17)16-9-4-3-7-14(16)10-11-15-8-5-6-12-18-15/h3-9,12H,13H2,1-2H3
InChIKeyIRSNKXCORFCGIT-UHFFFAOYSA-N
MW377.30 g/mol
LogP3.37
Rot. Bonds2

About iodomethyl-dimethyl-[2-(2-pyridin-2-ylethynyl)phenyl]silane

iodomethyl-dimethyl-[2-(2-pyridin-2-ylethynyl)phenyl]silane (PubChem CID 132837251) has the molecular formula C16H16INSi and a molecular weight of 377.30 g/mol. Its IUPAC name is iodomethyl-dimethyl-[2-(2-pyridin-2-ylethynyl)phenyl]silane.

Molecular Properties

Compound Nameiodomethyl-dimethyl-[2-(2-pyridin-2-ylethynyl)phenyl]silane
PubChem CID132837251
Molecular FormulaC16H16INSi
Molecular Weight377.30 g/mol
Exact Mass377.01
IUPAC Nameiodomethyl-dimethyl-[2-(2-pyridin-2-ylethynyl)phenyl]silane
SMILESC[Si](C)(CI)c1ccccc1C#Cc1ccccn1
InChIInChI=1S/C16H16INSi/c1-19(2,13-17)16-9-4-3-7-14(16)10-11-15-8-5-6-12-18-15/h3-9,12H,13H2,1-2H3
InChIKeyIRSNKXCORFCGIT-UHFFFAOYSA-N
XLogP3.37
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.30
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-iodophenyl)ethynyl]pyridine
CID 125483767
[dimethyl(2-pyridin-2-ylethynyl)silyl]oxy-dimethyl-(2-pyridin-2-ylethynyl)silane
CID 101345226
dimethyl(2-pyridin-2-ylethynyl)silane
CID 155627519
2-[2-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]ethynyl]pyridine
CID 102471981
2-(3-fluoroprop-1-ynyl)pyridine
CID 123437689
2-(2-pyridin-2-ylethynyl)pyridine-4-carboxylic acid
CID 118478791
2-oct-1-ynylpyridine
CID 12931148
3-ethyl-2-phenyl-8-(2-pyridin-2-ylethynyl)isoquinolin-1-one
CID 144824555
1,1-diphenyl-3-pyridin-2-ylprop-2-yn-1-ol
CID 102477720
5-pyridin-2-ylpent-4-ynoic acid
CID 66598382
diphenyl(2-pyridin-2-ylethynyl)phosphane
CID 12983143
dimethyl-(2-phenylethynyl)-[2-(2-phenylethynyl)phenyl]silane
CID 15981524

Frequently Asked Questions

What is the IUPAC name of iodomethyl-dimethyl-[2-(2-pyridin-2-ylethynyl)phenyl]silane?
The IUPAC name of iodomethyl-dimethyl-[2-(2-pyridin-2-ylethynyl)phenyl]silane (CID 132837251) is iodomethyl-dimethyl-[2-(2-pyridin-2-ylethynyl)phenyl]silane.
What is the SMILES notation for iodomethyl-dimethyl-[2-(2-pyridin-2-ylethynyl)phenyl]silane?
The canonical SMILES for iodomethyl-dimethyl-[2-(2-pyridin-2-ylethynyl)phenyl]silane is C[Si](C)(CI)c1ccccc1C#Cc1ccccn1.
What is the InChIKey of iodomethyl-dimethyl-[2-(2-pyridin-2-ylethynyl)phenyl]silane?
The InChIKey is IRSNKXCORFCGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16INSi/c1-19(2,13-17)16-9-4-3-7-14(16)10-11-15-8-5-6-12-18-15/h3-9,12H,13H2,1-2H3.
What are the key properties of iodomethyl-dimethyl-[2-(2-pyridin-2-ylethynyl)phenyl]silane?
iodomethyl-dimethyl-[2-(2-pyridin-2-ylethynyl)phenyl]silane has a molecular weight of 377.30 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for iodomethyl-dimethyl-[2-(2-pyridin-2-ylethynyl)phenyl]silane is sourced from PubChem (CID 132837251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).