methyl 4-methoxy-5-(2-trimethylsilylethynyl)pyridine-2-carboxylate

C13H17NO3Si — CID 169495051

IUPACmethyl 4-methoxy-5-(2-trimethylsilylethynyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(OC)c(C#C[Si](C)(C)C)cn1
InChIInChI=1S/C13H17NO3Si/c1-16-12-8-11(13(15)17-2)14-9-10(12)6-7-18(3,4)5/h8-9H,1-5H3
InChIKeyHVMCEZLBPRFYHA-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.11
Rot. Bonds2

About methyl 4-methoxy-5-(2-trimethylsilylethynyl)pyridine-2-carboxylate

methyl 4-methoxy-5-(2-trimethylsilylethynyl)pyridine-2-carboxylate (PubChem CID 169495051) has the molecular formula C13H17NO3Si and a molecular weight of 263.37 g/mol. Its IUPAC name is methyl 4-methoxy-5-(2-trimethylsilylethynyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methoxy-5-(2-trimethylsilylethynyl)pyridine-2-carboxylate
PubChem CID169495051
Molecular FormulaC13H17NO3Si
Molecular Weight263.37 g/mol
Exact Mass263.10
IUPAC Namemethyl 4-methoxy-5-(2-trimethylsilylethynyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(OC)c(C#C[Si](C)(C)C)cn1
InChIInChI=1S/C13H17NO3Si/c1-16-12-8-11(13(15)17-2)14-9-10(12)6-7-18(3,4)5/h8-9H,1-5H3
InChIKeyHVMCEZLBPRFYHA-UHFFFAOYSA-N
XLogP2.11
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 methyl 4-methoxy-5-(2-trimethylsilylethynyl)pyridine-2-carboxylate?
The IUPAC name of methyl 4-methoxy-5-(2-trimethylsilylethynyl)pyridine-2-carboxylate (CID 169495051) is methyl 4-methoxy-5-(2-trimethylsilylethynyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-methoxy-5-(2-trimethylsilylethynyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-methoxy-5-(2-trimethylsilylethynyl)pyridine-2-carboxylate is COC(=O)c1cc(OC)c(C#C[Si](C)(C)C)cn1.
What is the InChIKey of methyl 4-methoxy-5-(2-trimethylsilylethynyl)pyridine-2-carboxylate?
The InChIKey is HVMCEZLBPRFYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3Si/c1-16-12-8-11(13(15)17-2)14-9-10(12)6-7-18(3,4)5/h8-9H,1-5H3.
What are the key properties of methyl 4-methoxy-5-(2-trimethylsilylethynyl)pyridine-2-carboxylate?
methyl 4-methoxy-5-(2-trimethylsilylethynyl)pyridine-2-carboxylate has a molecular weight of 263.37 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-5-(2-trimethylsilylethynyl)pyridine-2-carboxylate is sourced from PubChem (CID 169495051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).