dimethyl 1-methyl-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate

C14H15NO4S — CID 758704

IUPACdimethyl 1-methyl-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=CN(C)C=C(C(=O)OC)C1c1ccsc1
InChIInChI=1S/C14H15NO4S/c1-15-6-10(13(16)18-2)12(9-4-5-20-8-9)11(7-15)14(17)19-3/h4-8,12H,1-3H3
InChIKeyQFPUQVWIERXJIP-UHFFFAOYSA-N
MW293.34 g/mol
LogP1.89
Rot. Bonds3

About dimethyl 1-methyl-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate

dimethyl 1-methyl-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate (PubChem CID 758704) has the molecular formula C14H15NO4S and a molecular weight of 293.34 g/mol. Its IUPAC name is dimethyl 1-methyl-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1-methyl-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate
PubChem CID758704
Molecular FormulaC14H15NO4S
Molecular Weight293.34 g/mol
Exact Mass293.07
IUPAC Namedimethyl 1-methyl-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=CN(C)C=C(C(=O)OC)C1c1ccsc1
InChIInChI=1S/C14H15NO4S/c1-15-6-10(13(16)18-2)12(9-4-5-20-8-9)11(7-15)14(17)19-3/h4-8,12H,1-3H3
InChIKeyQFPUQVWIERXJIP-UHFFFAOYSA-N
XLogP1.89
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl 1-methyl-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 1-methyl-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate (CID 758704) is dimethyl 1-methyl-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 1-methyl-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 1-methyl-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate is COC(=O)C1=CN(C)C=C(C(=O)OC)C1c1ccsc1.
What is the InChIKey of dimethyl 1-methyl-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate?
The InChIKey is QFPUQVWIERXJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S/c1-15-6-10(13(16)18-2)12(9-4-5-20-8-9)11(7-15)14(17)19-3/h4-8,12H,1-3H3.
What are the key properties of dimethyl 1-methyl-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate?
dimethyl 1-methyl-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate has a molecular weight of 293.34 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1-methyl-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate is sourced from PubChem (CID 758704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).