diethyl 4-thiophen-3-ylpyridine-2,6-dicarboxylate

C15H15NO4S — CID 86060107

IUPACdiethyl 4-thiophen-3-ylpyridine-2,6-dicarboxylate
SMILESCCOC(=O)c1cc(-c2ccsc2)cc(C(=O)OCC)n1
InChIInChI=1S/C15H15NO4S/c1-3-19-14(17)12-7-11(10-5-6-21-9-10)8-13(16-12)15(18)20-4-2/h5-9H,3-4H2,1-2H3
InChIKeyCNYFCOHQFYPHBW-UHFFFAOYSA-N
MW305.36 g/mol
LogP3.16
Rot. Bonds5

About diethyl 4-thiophen-3-ylpyridine-2,6-dicarboxylate

diethyl 4-thiophen-3-ylpyridine-2,6-dicarboxylate (PubChem CID 86060107) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is diethyl 4-thiophen-3-ylpyridine-2,6-dicarboxylate.

Molecular Properties

Compound Namediethyl 4-thiophen-3-ylpyridine-2,6-dicarboxylate
PubChem CID86060107
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Namediethyl 4-thiophen-3-ylpyridine-2,6-dicarboxylate
SMILESCCOC(=O)c1cc(-c2ccsc2)cc(C(=O)OCC)n1
InChIInChI=1S/C15H15NO4S/c1-3-19-14(17)12-7-11(10-5-6-21-9-10)8-13(16-12)15(18)20-4-2/h5-9H,3-4H2,1-2H3
InChIKeyCNYFCOHQFYPHBW-UHFFFAOYSA-N
XLogP3.16
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of diethyl 4-thiophen-3-ylpyridine-2,6-dicarboxylate?
The IUPAC name of diethyl 4-thiophen-3-ylpyridine-2,6-dicarboxylate (CID 86060107) is diethyl 4-thiophen-3-ylpyridine-2,6-dicarboxylate.
What is the SMILES notation for diethyl 4-thiophen-3-ylpyridine-2,6-dicarboxylate?
The canonical SMILES for diethyl 4-thiophen-3-ylpyridine-2,6-dicarboxylate is CCOC(=O)c1cc(-c2ccsc2)cc(C(=O)OCC)n1.
What is the InChIKey of diethyl 4-thiophen-3-ylpyridine-2,6-dicarboxylate?
The InChIKey is CNYFCOHQFYPHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-3-19-14(17)12-7-11(10-5-6-21-9-10)8-13(16-12)15(18)20-4-2/h5-9H,3-4H2,1-2H3.
What are the key properties of diethyl 4-thiophen-3-ylpyridine-2,6-dicarboxylate?
diethyl 4-thiophen-3-ylpyridine-2,6-dicarboxylate has a molecular weight of 305.36 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 4-thiophen-3-ylpyridine-2,6-dicarboxylate is sourced from PubChem (CID 86060107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).