ethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylate

C15H25NO3Si — CID 151293297

IUPACethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H25NO3Si/c1-7-18-14(17)12-9-8-10-16-13(12)11-19-20(5,6)15(2,3)4/h8-10H,7,11H2,1-6H3
InChIKeyOAWMLLUPUSADDU-UHFFFAOYSA-N
MW295.46 g/mol
LogP3.78
Rot. Bonds5

About ethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylate

ethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylate (PubChem CID 151293297) has the molecular formula C15H25NO3Si and a molecular weight of 295.46 g/mol. Its IUPAC name is ethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylate
PubChem CID151293297
Molecular FormulaC15H25NO3Si
Molecular Weight295.46 g/mol
Exact Mass295.16
IUPAC Nameethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H25NO3Si/c1-7-18-14(17)12-9-8-10-16-13(12)11-19-20(5,6)15(2,3)4/h8-10H,7,11H2,1-6H3
InChIKeyOAWMLLUPUSADDU-UHFFFAOYSA-N
XLogP3.78
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.46
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[[tert-butyl(dimethyl)silyl]peroxymethyl]pyridine-3-carboxylate
CID 153494128
ethyl 2-(3-aminopropyl)pyridine-3-carboxylate
CID 70281941
ethyl 2-(tert-butylamino)pyridine-3-carboxylate
CID 90095757
[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]-[(3R)-3-(hydroxymethyl)morpholin-4-yl]methanone
CID 152643148
methyl 2-[(4-ethoxycarbonyl-1H-pyrazol-5-yl)oxymethyl]pyridine-3-carboxylate
CID 167754522
ethyl 2-[2,2-dimethylpropyl(methyl)amino]pyridine-3-carboxylate
CID 133469869
ethyl 2-phenylpyridine-3-carboxylate
CID 10846916
ethyl 2-hydrazinylpyridine-3-carboxylate;hydrochloride
CID 146675652
ethyl 2-ethynylpyridine-3-carboxylate
CID 54287317
2-aminopyridine-3-carboxylic acid;ethyl 2-aminopyridine-3-carboxylate
CID 159950577
ethyl 2-chloroselanylpyridine-3-carboxylate
CID 145320288
ethyl 2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylate
CID 104695551

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylate (CID 151293297) is ethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylate is CCOC(=O)c1cccnc1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylate?
The InChIKey is OAWMLLUPUSADDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3Si/c1-7-18-14(17)12-9-8-10-16-13(12)11-19-20(5,6)15(2,3)4/h8-10H,7,11H2,1-6H3.
What are the key properties of ethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylate?
ethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylate has a molecular weight of 295.46 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylate is sourced from PubChem (CID 151293297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).