dimethyl 2,6-dimethyl-4-thiophen-2-ylpyridine-3,5-dicarboxylate

C15H15NO4S — CID 714649

IUPACdimethyl 2,6-dimethyl-4-thiophen-2-ylpyridine-3,5-dicarboxylate
SMILESCOC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1cccs1
InChIInChI=1S/C15H15NO4S/c1-8-11(14(17)19-3)13(10-6-5-7-21-10)12(9(2)16-8)15(18)20-4/h5-7H,1-4H3
InChIKeySLZGKILOTAGHIY-UHFFFAOYSA-N
MW305.36 g/mol
LogP3.00
Rot. Bonds3

About dimethyl 2,6-dimethyl-4-thiophen-2-ylpyridine-3,5-dicarboxylate

dimethyl 2,6-dimethyl-4-thiophen-2-ylpyridine-3,5-dicarboxylate (PubChem CID 714649) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is dimethyl 2,6-dimethyl-4-thiophen-2-ylpyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2,6-dimethyl-4-thiophen-2-ylpyridine-3,5-dicarboxylate
PubChem CID714649
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Namedimethyl 2,6-dimethyl-4-thiophen-2-ylpyridine-3,5-dicarboxylate
SMILESCOC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1cccs1
InChIInChI=1S/C15H15NO4S/c1-8-11(14(17)19-3)13(10-6-5-7-21-10)12(9(2)16-8)15(18)20-4/h5-7H,1-4H3
InChIKeySLZGKILOTAGHIY-UHFFFAOYSA-N
XLogP3.00
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2,6-dimethyl-4-thiophen-2-ylpyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 2,6-dimethyl-4-thiophen-2-ylpyridine-3,5-dicarboxylate (CID 714649) is dimethyl 2,6-dimethyl-4-thiophen-2-ylpyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 2,6-dimethyl-4-thiophen-2-ylpyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 2,6-dimethyl-4-thiophen-2-ylpyridine-3,5-dicarboxylate is COC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1cccs1.
What is the InChIKey of dimethyl 2,6-dimethyl-4-thiophen-2-ylpyridine-3,5-dicarboxylate?
The InChIKey is SLZGKILOTAGHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-8-11(14(17)19-3)13(10-6-5-7-21-10)12(9(2)16-8)15(18)20-4/h5-7H,1-4H3.
What are the key properties of dimethyl 2,6-dimethyl-4-thiophen-2-ylpyridine-3,5-dicarboxylate?
dimethyl 2,6-dimethyl-4-thiophen-2-ylpyridine-3,5-dicarboxylate has a molecular weight of 305.36 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2,6-dimethyl-4-thiophen-2-ylpyridine-3,5-dicarboxylate is sourced from PubChem (CID 714649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).