methyl 2-[[tert-butyl(dimethyl)silyl]peroxymethyl]pyridine-3-carboxylate

C14H23NO4Si — CID 153494128

IUPACmethyl 2-[[tert-butyl(dimethyl)silyl]peroxymethyl]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1COO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H23NO4Si/c1-14(2,3)20(5,6)19-18-10-12-11(13(16)17-4)8-7-9-15-12/h7-9H,10H2,1-6H3
InChIKeyYNJBQKGOWXWCDN-UHFFFAOYSA-N
MW297.43 g/mol
LogP3.32
Rot. Bonds5

About methyl 2-[[tert-butyl(dimethyl)silyl]peroxymethyl]pyridine-3-carboxylate

methyl 2-[[tert-butyl(dimethyl)silyl]peroxymethyl]pyridine-3-carboxylate (PubChem CID 153494128) has the molecular formula C14H23NO4Si and a molecular weight of 297.43 g/mol. Its IUPAC name is methyl 2-[[tert-butyl(dimethyl)silyl]peroxymethyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[tert-butyl(dimethyl)silyl]peroxymethyl]pyridine-3-carboxylate
PubChem CID153494128
Molecular FormulaC14H23NO4Si
Molecular Weight297.43 g/mol
Exact Mass297.14
IUPAC Namemethyl 2-[[tert-butyl(dimethyl)silyl]peroxymethyl]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1COO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H23NO4Si/c1-14(2,3)20(5,6)19-18-10-12-11(13(16)17-4)8-7-9-15-12/h7-9H,10H2,1-6H3
InChIKeyYNJBQKGOWXWCDN-UHFFFAOYSA-N
XLogP3.32
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylate
CID 151293297
methyl 2-(trifluoromethyl)pyridine-3-carboxylate;dihydrochloride
CID 141197629
methyl 2-[(2,3,3-trimethylbutylamino)methyl]pyridine-3-carboxylate
CID 114198781
methyl 2-(2-cyanoethyl)pyridine-3-carboxylate
CID 146567740
methyl 2-[(4-ethoxycarbonyl-1H-pyrazol-5-yl)oxymethyl]pyridine-3-carboxylate
CID 167754522
methyl 2-methylpyridine-3-carboxylate
CID 7015327
2-[2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]pyridine-3-carboxylic acid
CID 152590073
methyl 2-[[(3-methoxy-3-oxopropyl)amino]methyl]pyridine-3-carboxylate
CID 114198641
methyl 2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylate
CID 104695550
methyl 2-[(4-ethylpiperazin-1-yl)methyl]pyridine-3-carboxylate
CID 114198428
methanol;methyl 2-methylpyridine-3-carboxylate
CID 174704345
CID 87392386
CID 87392386

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[tert-butyl(dimethyl)silyl]peroxymethyl]pyridine-3-carboxylate?
The IUPAC name of methyl 2-[[tert-butyl(dimethyl)silyl]peroxymethyl]pyridine-3-carboxylate (CID 153494128) is methyl 2-[[tert-butyl(dimethyl)silyl]peroxymethyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[[tert-butyl(dimethyl)silyl]peroxymethyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[[tert-butyl(dimethyl)silyl]peroxymethyl]pyridine-3-carboxylate is COC(=O)c1cccnc1COO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl 2-[[tert-butyl(dimethyl)silyl]peroxymethyl]pyridine-3-carboxylate?
The InChIKey is YNJBQKGOWXWCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4Si/c1-14(2,3)20(5,6)19-18-10-12-11(13(16)17-4)8-7-9-15-12/h7-9H,10H2,1-6H3.
What are the key properties of methyl 2-[[tert-butyl(dimethyl)silyl]peroxymethyl]pyridine-3-carboxylate?
methyl 2-[[tert-butyl(dimethyl)silyl]peroxymethyl]pyridine-3-carboxylate has a molecular weight of 297.43 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[tert-butyl(dimethyl)silyl]peroxymethyl]pyridine-3-carboxylate is sourced from PubChem (CID 153494128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).