methyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-2-carboxylate

C14H23NO3Si — CID 90375137

IUPACmethyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(CO[Si](C)(C)C(C)(C)C)ccn1
InChIInChI=1S/C14H23NO3Si/c1-14(2,3)19(5,6)18-10-11-7-8-15-12(9-11)13(16)17-4/h7-9H,10H2,1-6H3
InChIKeyXKEUQNQHZYLREF-UHFFFAOYSA-N
MW281.43 g/mol
LogP3.39
Rot. Bonds4

About methyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-2-carboxylate

methyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-2-carboxylate (PubChem CID 90375137) has the molecular formula C14H23NO3Si and a molecular weight of 281.43 g/mol. Its IUPAC name is methyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-2-carboxylate
PubChem CID90375137
Molecular FormulaC14H23NO3Si
Molecular Weight281.43 g/mol
Exact Mass281.14
IUPAC Namemethyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(CO[Si](C)(C)C(C)(C)C)ccn1
InChIInChI=1S/C14H23NO3Si/c1-14(2,3)19(5,6)18-10-11-7-8-15-12(9-11)13(16)17-4/h7-9H,10H2,1-6H3
InChIKeyXKEUQNQHZYLREF-UHFFFAOYSA-N
XLogP3.39
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-2-carboxylate?
The IUPAC name of methyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-2-carboxylate (CID 90375137) is methyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-2-carboxylate is COC(=O)c1cc(CO[Si](C)(C)C(C)(C)C)ccn1.
What is the InChIKey of methyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-2-carboxylate?
The InChIKey is XKEUQNQHZYLREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3Si/c1-14(2,3)19(5,6)18-10-11-7-8-15-12(9-11)13(16)17-4/h7-9H,10H2,1-6H3.
What are the key properties of methyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-2-carboxylate?
methyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-2-carboxylate has a molecular weight of 281.43 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-2-carboxylate is sourced from PubChem (CID 90375137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).