dimethyl 2-(thiophene-2-carbonyl)-6-thiophen-2-ylpyridine-3,4-dicarboxylate

C18H13NO5S2 — CID 135067685

IUPACdimethyl 2-(thiophene-2-carbonyl)-6-thiophen-2-ylpyridine-3,4-dicarboxylate
SMILESCOC(=O)c1cc(-c2cccs2)nc(C(=O)c2cccs2)c1C(=O)OC
InChIInChI=1S/C18H13NO5S2/c1-23-17(21)10-9-11(12-5-3-7-25-12)19-15(14(10)18(22)24-2)16(20)13-6-4-8-26-13/h3-9H,1-2H3
InChIKeyBRDYGARMBFQMCK-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.68
Rot. Bonds5

About dimethyl 2-(thiophene-2-carbonyl)-6-thiophen-2-ylpyridine-3,4-dicarboxylate

dimethyl 2-(thiophene-2-carbonyl)-6-thiophen-2-ylpyridine-3,4-dicarboxylate (PubChem CID 135067685) has the molecular formula C18H13NO5S2 and a molecular weight of 387.44 g/mol. Its IUPAC name is dimethyl 2-(thiophene-2-carbonyl)-6-thiophen-2-ylpyridine-3,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-(thiophene-2-carbonyl)-6-thiophen-2-ylpyridine-3,4-dicarboxylate
PubChem CID135067685
Molecular FormulaC18H13NO5S2
Molecular Weight387.44 g/mol
Exact Mass387.02
IUPAC Namedimethyl 2-(thiophene-2-carbonyl)-6-thiophen-2-ylpyridine-3,4-dicarboxylate
SMILESCOC(=O)c1cc(-c2cccs2)nc(C(=O)c2cccs2)c1C(=O)OC
InChIInChI=1S/C18H13NO5S2/c1-23-17(21)10-9-11(12-5-3-7-25-12)19-15(14(10)18(22)24-2)16(20)13-6-4-8-26-13/h3-9H,1-2H3
InChIKeyBRDYGARMBFQMCK-UHFFFAOYSA-N
XLogP3.68
TPSA82.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 6-methoxy-2-thiophen-2-ylquinoline-4-carboxylate
CID 164676976
methyl 3-amino-6-thiophen-2-ylpyridine-2-carboxylate
CID 167489425
dimethyl 5-hydroxy-3-thiophen-2-ylbenzene-1,2-dicarboxylate
CID 11098312
methyl 1-ethyl-4-oxo-2-sulfanylidene-7-thiophen-2-ylpyrido[2,3-d]pyrimidine-5-carboxylate
CID 44823703
dimethyl 2-(2-chlorobenzoyl)-6-(2-chlorophenyl)pyridine-3,4-dicarboxylate
CID 135067934
dithiophen-2-ylmethanone;2-thiophen-2-ylthiophene
CID 161486915
methyl 2-thiophen-2-ylquinoline-3-carboxylate
CID 132558070
methyl 2-thiophen-2-ylimidazo[1,2-a]pyridine-8-carboxylate
CID 117137140
methyl 4,5-dimethoxy-2-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]benzoate
CID 1261711
methyl 2-(thiophene-2-carbonyl)-1H-imidazo[4,5-b]pyridine-7-carboxylate
CID 70304680
ethyl 2-bromo-3-hydroxy-6-thiophen-2-ylpyridine-4-carboxylate
CID 87562816
5-methoxycarbonyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 59461413

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(thiophene-2-carbonyl)-6-thiophen-2-ylpyridine-3,4-dicarboxylate?
The IUPAC name of dimethyl 2-(thiophene-2-carbonyl)-6-thiophen-2-ylpyridine-3,4-dicarboxylate (CID 135067685) is dimethyl 2-(thiophene-2-carbonyl)-6-thiophen-2-ylpyridine-3,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-(thiophene-2-carbonyl)-6-thiophen-2-ylpyridine-3,4-dicarboxylate?
The canonical SMILES for dimethyl 2-(thiophene-2-carbonyl)-6-thiophen-2-ylpyridine-3,4-dicarboxylate is COC(=O)c1cc(-c2cccs2)nc(C(=O)c2cccs2)c1C(=O)OC.
What is the InChIKey of dimethyl 2-(thiophene-2-carbonyl)-6-thiophen-2-ylpyridine-3,4-dicarboxylate?
The InChIKey is BRDYGARMBFQMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO5S2/c1-23-17(21)10-9-11(12-5-3-7-25-12)19-15(14(10)18(22)24-2)16(20)13-6-4-8-26-13/h3-9H,1-2H3.
What are the key properties of dimethyl 2-(thiophene-2-carbonyl)-6-thiophen-2-ylpyridine-3,4-dicarboxylate?
dimethyl 2-(thiophene-2-carbonyl)-6-thiophen-2-ylpyridine-3,4-dicarboxylate has a molecular weight of 387.44 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(thiophene-2-carbonyl)-6-thiophen-2-ylpyridine-3,4-dicarboxylate is sourced from PubChem (CID 135067685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).