methyl 6-methyl-2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate

C13H19NO2Si — CID 12853373

IUPACmethyl 6-methyl-2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate
SMILESCOC(=O)N1C(C)=CC=CC1C#C[Si](C)(C)C
InChIInChI=1S/C13H19NO2Si/c1-11-7-6-8-12(9-10-17(3,4)5)14(11)13(15)16-2/h6-8,12H,1-5H3
InChIKeyLAEFXWLASBWUJM-UHFFFAOYSA-N
MW249.39 g/mol
LogP2.78
Rot. Bonds

About methyl 6-methyl-2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate

methyl 6-methyl-2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate (PubChem CID 12853373) has the molecular formula C13H19NO2Si and a molecular weight of 249.39 g/mol. Its IUPAC name is methyl 6-methyl-2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 6-methyl-2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate
PubChem CID12853373
Molecular FormulaC13H19NO2Si
Molecular Weight249.39 g/mol
Exact Mass249.12
IUPAC Namemethyl 6-methyl-2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate
SMILESCOC(=O)N1C(C)=CC=CC1C#C[Si](C)(C)C
InChIInChI=1S/C13H19NO2Si/c1-11-7-6-8-12(9-10-17(3,4)5)14(11)13(15)16-2/h6-8,12H,1-5H3
InChIKeyLAEFXWLASBWUJM-UHFFFAOYSA-N
XLogP2.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.39
LogP ≤ 52.78
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'}

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Related Compounds

methyl 2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate
CID 12853371
ethyl 2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate
CID 24812908
methyl 2-pent-1-ynyl-2H-pyridine-1-carboxylate
CID 135085469
ethyl 6-(2-hydroxyethyl)-2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate
CID 10803682
methyl (2R)-2-hex-1-ynyl-2H-pyridine-1-carboxylate
CID 102323949

Frequently Asked Questions

What is the IUPAC name of methyl 6-methyl-2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate?
The IUPAC name of methyl 6-methyl-2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate (CID 12853373) is methyl 6-methyl-2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate.
What is the SMILES notation for methyl 6-methyl-2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate?
The canonical SMILES for methyl 6-methyl-2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate is COC(=O)N1C(C)=CC=CC1C#C[Si](C)(C)C.
What is the InChIKey of methyl 6-methyl-2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate?
The InChIKey is LAEFXWLASBWUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2Si/c1-11-7-6-8-12(9-10-17(3,4)5)14(11)13(15)16-2/h6-8,12H,1-5H3.
What are the key properties of methyl 6-methyl-2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate?
methyl 6-methyl-2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate has a molecular weight of 249.39 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methyl-2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate is sourced from PubChem (CID 12853373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).