ethyl 2,6-bis(2-trimethylsilylethynyl)pyridine-4-carboxylate

C18H25NO2Si2 — CID 155292927

IUPACethyl 2,6-bis(2-trimethylsilylethynyl)pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(C#C[Si](C)(C)C)nc(C#C[Si](C)(C)C)c1
InChIInChI=1S/C18H25NO2Si2/c1-8-21-18(20)15-13-16(9-11-22(2,3)4)19-17(14-15)10-12-23(5,6)7/h13-14H,8H2,1-7H3
InChIKeyOSHYRIZJIUVQBW-UHFFFAOYSA-N
MW343.58 g/mol
LogP3.72
Rot. Bonds2

About ethyl 2,6-bis(2-trimethylsilylethynyl)pyridine-4-carboxylate

ethyl 2,6-bis(2-trimethylsilylethynyl)pyridine-4-carboxylate (PubChem CID 155292927) has the molecular formula C18H25NO2Si2 and a molecular weight of 343.58 g/mol. Its IUPAC name is ethyl 2,6-bis(2-trimethylsilylethynyl)pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2,6-bis(2-trimethylsilylethynyl)pyridine-4-carboxylate
PubChem CID155292927
Molecular FormulaC18H25NO2Si2
Molecular Weight343.58 g/mol
Exact Mass343.14
IUPAC Nameethyl 2,6-bis(2-trimethylsilylethynyl)pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(C#C[Si](C)(C)C)nc(C#C[Si](C)(C)C)c1
InChIInChI=1S/C18H25NO2Si2/c1-8-21-18(20)15-13-16(9-11-22(2,3)4)19-17(14-15)10-12-23(5,6)7/h13-14H,8H2,1-7H3
InChIKeyOSHYRIZJIUVQBW-UHFFFAOYSA-N
XLogP3.72
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.58
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

ethyl 4-amino-2-chloro-5-(2-trimethylsilylethynyl)benzoate
CID 58688773
ethyl 3-iodo-5-propanoylbenzoate
CID 134641129
4-ethoxycarbonyl-5-(2-trimethylsilylethynyl)pyridine-2-carboxylic acid
CID 68824594
ethyl 3-iodo-5-methylbenzoate
CID 79018034
ethyl 3-bromo-5-(3-hydroxyprop-1-ynyl)benzoate
CID 11150254
ethyl 4-amino-3,5-dihydroxybenzoate
CID 130058658
ethyl 3,4,5-trichlorobenzoate
CID 14692896
ethyl 3,5-bis(aminomethyl)benzoate
CID 174906778
ethyl 4-methyl-2-[4-(2-trimethylsilylethynyl)phenyl]-1,3-thiazole-5-carboxylate
CID 23563115
ethyl 1-[[4-[3-methyl-5-(2-trimethylsilylethynyl)phenyl]-1,3-thiazol-2-yl]methyl]pyrazole-4-carboxylate
CID 58127956
diethyl benzene-1,3-dicarboxylate
CID 12491
ethyl 3-[2-[4-[2-[4-[2-(3-ethoxycarbonyl-5-hydroxyphenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]-5-hydroxybenzoate
CID 11577608

Frequently Asked Questions

What is the IUPAC name of ethyl 2,6-bis(2-trimethylsilylethynyl)pyridine-4-carboxylate?
The IUPAC name of ethyl 2,6-bis(2-trimethylsilylethynyl)pyridine-4-carboxylate (CID 155292927) is ethyl 2,6-bis(2-trimethylsilylethynyl)pyridine-4-carboxylate.
What is the SMILES notation for ethyl 2,6-bis(2-trimethylsilylethynyl)pyridine-4-carboxylate?
The canonical SMILES for ethyl 2,6-bis(2-trimethylsilylethynyl)pyridine-4-carboxylate is CCOC(=O)c1cc(C#C[Si](C)(C)C)nc(C#C[Si](C)(C)C)c1.
What is the InChIKey of ethyl 2,6-bis(2-trimethylsilylethynyl)pyridine-4-carboxylate?
The InChIKey is OSHYRIZJIUVQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2Si2/c1-8-21-18(20)15-13-16(9-11-22(2,3)4)19-17(14-15)10-12-23(5,6)7/h13-14H,8H2,1-7H3.
What are the key properties of ethyl 2,6-bis(2-trimethylsilylethynyl)pyridine-4-carboxylate?
ethyl 2,6-bis(2-trimethylsilylethynyl)pyridine-4-carboxylate has a molecular weight of 343.58 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,6-bis(2-trimethylsilylethynyl)pyridine-4-carboxylate is sourced from PubChem (CID 155292927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).