methyl 4-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]pyridine-2-carboxylate

C16H23NO3Si — CID 69356303

IUPACmethyl 4-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(C#CCO[Si](C)(C)C(C)(C)C)ccn1
InChIInChI=1S/C16H23NO3Si/c1-16(2,3)21(5,6)20-11-7-8-13-9-10-17-14(12-13)15(18)19-4/h9-10,12H,11H2,1-6H3
InChIKeyHLWUVUWJQPFGBI-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.24
Rot. Bonds3

About methyl 4-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]pyridine-2-carboxylate

methyl 4-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]pyridine-2-carboxylate (PubChem CID 69356303) has the molecular formula C16H23NO3Si and a molecular weight of 305.45 g/mol. Its IUPAC name is methyl 4-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]pyridine-2-carboxylate
PubChem CID69356303
Molecular FormulaC16H23NO3Si
Molecular Weight305.45 g/mol
Exact Mass305.14
IUPAC Namemethyl 4-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(C#CCO[Si](C)(C)C(C)(C)C)ccn1
InChIInChI=1S/C16H23NO3Si/c1-16(2,3)21(5,6)20-11-7-8-13-9-10-17-14(12-13)15(18)19-4/h9-10,12H,11H2,1-6H3
InChIKeyHLWUVUWJQPFGBI-UHFFFAOYSA-N
XLogP3.24
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.24
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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Related Compounds

methyl 4-(4-methylpent-1-ynyl)pyridine-2-carboxylate
CID 123548823
methyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-2-carboxylate
CID 90375137
methyl 5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-6-chloropyridine-3-carboxylate
CID 151760274
methyl 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]pyrimidine-4-carboxylate
CID 176747637
methyl 4-methylpyridine-2-carboxylate
CID 10920693
2-[tert-butyl-(2-methoxycarbonyl-4-pyridinyl)amino]acetic acid
CID 79269082
disodium;methyl 4-fluoropyridine-2-carboxylate;dichloride
CID 172849137
methyl 4-aminopyridine-2-carboxylate
CID 3759117
4-[4-(methylamino)but-1-ynyl]pyridine-2-carboxylic acid
CID 170464379
methyl 4-pyridin-4-ylpyridine-2-carboxylate
CID 46317488
methyl 5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyridine-2-carboxylate
CID 91756282
methyl 4-(sulfinylamino)pyridine-2-carboxylate
CID 129321367

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]pyridine-2-carboxylate?
The IUPAC name of methyl 4-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]pyridine-2-carboxylate (CID 69356303) is methyl 4-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]pyridine-2-carboxylate is COC(=O)c1cc(C#CCO[Si](C)(C)C(C)(C)C)ccn1.
What is the InChIKey of methyl 4-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]pyridine-2-carboxylate?
The InChIKey is HLWUVUWJQPFGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3Si/c1-16(2,3)21(5,6)20-11-7-8-13-9-10-17-14(12-13)15(18)19-4/h9-10,12H,11H2,1-6H3.
What are the key properties of methyl 4-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]pyridine-2-carboxylate?
methyl 4-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]pyridine-2-carboxylate has a molecular weight of 305.45 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]pyridine-2-carboxylate is sourced from PubChem (CID 69356303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).