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

C12H17NO2Si — CID 12853371

IUPACmethyl 2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate
SMILESCOC(=O)N1C=CC=CC1C#C[Si](C)(C)C
InChIInChI=1S/C12H17NO2Si/c1-15-12(14)13-9-6-5-7-11(13)8-10-16(2,3)4/h5-7,9,11H,1-4H3
InChIKeyYVICYTXKEKSKOF-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.39
Rot. Bonds

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

methyl 2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate (PubChem CID 12853371) has the molecular formula C12H17NO2Si and a molecular weight of 235.36 g/mol. Its IUPAC name is methyl 2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate
PubChem CID12853371
Molecular FormulaC12H17NO2Si
Molecular Weight235.36 g/mol
Exact Mass235.10
IUPAC Namemethyl 2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate
SMILESCOC(=O)N1C=CC=CC1C#C[Si](C)(C)C
InChIInChI=1S/C12H17NO2Si/c1-15-12(14)13-9-6-5-7-11(13)8-10-16(2,3)4/h5-7,9,11H,1-4H3
InChIKeyYVICYTXKEKSKOF-UHFFFAOYSA-N
XLogP2.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.39
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 6-methyl-2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate
CID 12853373
ethyl 2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate
CID 24812908
ethyl 2-hex-1-ynyl-2H-pyridine-1-carboxylate
CID 24813164
methyl 2-pent-1-ynyl-2H-pyridine-1-carboxylate
CID 135085469
methyl (2R)-2-hex-1-ynyl-2H-pyridine-1-carboxylate
CID 102323949
1-[(2R)-2-(2-trimethylsilylethynyl)-2H-pyridin-1-yl]ethanone
CID 102578804

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate?
The IUPAC name of methyl 2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate (CID 12853371) is methyl 2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate.
What is the SMILES notation for methyl 2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate?
The canonical SMILES for methyl 2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate is COC(=O)N1C=CC=CC1C#C[Si](C)(C)C.
What is the InChIKey of methyl 2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate?
The InChIKey is YVICYTXKEKSKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2Si/c1-15-12(14)13-9-6-5-7-11(13)8-10-16(2,3)4/h5-7,9,11H,1-4H3.
What are the key properties of methyl 2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate?
methyl 2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate has a molecular weight of 235.36 g/mol, XLogP of 2.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-trimethylsilylethynyl)-2H-pyridine-1-carboxylate is sourced from PubChem (CID 12853371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).