methyl 3-(2-ethoxy-2-oxoethoxy)thieno[2,3-b]pyridine-2-carboxylate

C13H13NO5S — CID 1478603

IUPACmethyl 3-(2-ethoxy-2-oxoethoxy)thieno[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)COc1c(C(=O)OC)sc2ncccc12
InChIInChI=1S/C13H13NO5S/c1-3-18-9(15)7-19-10-8-5-4-6-14-12(8)20-11(10)13(16)17-2/h4-6H,3,7H2,1-2H3
InChIKeyKGCULOVUWAYGAP-UHFFFAOYSA-N
MW295.32 g/mol
LogP2.02
Rot. Bonds5

About methyl 3-(2-ethoxy-2-oxoethoxy)thieno[2,3-b]pyridine-2-carboxylate

methyl 3-(2-ethoxy-2-oxoethoxy)thieno[2,3-b]pyridine-2-carboxylate (PubChem CID 1478603) has the molecular formula C13H13NO5S and a molecular weight of 295.32 g/mol. Its IUPAC name is methyl 3-(2-ethoxy-2-oxoethoxy)thieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2-ethoxy-2-oxoethoxy)thieno[2,3-b]pyridine-2-carboxylate
PubChem CID1478603
Molecular FormulaC13H13NO5S
Molecular Weight295.32 g/mol
Exact Mass295.05
IUPAC Namemethyl 3-(2-ethoxy-2-oxoethoxy)thieno[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)COc1c(C(=O)OC)sc2ncccc12
InChIInChI=1S/C13H13NO5S/c1-3-18-9(15)7-19-10-8-5-4-6-14-12(8)20-11(10)13(16)17-2/h4-6H,3,7H2,1-2H3
InChIKeyKGCULOVUWAYGAP-UHFFFAOYSA-N
XLogP2.02
TPSA74.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-ethoxy-2-oxoethoxy)thieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of methyl 3-(2-ethoxy-2-oxoethoxy)thieno[2,3-b]pyridine-2-carboxylate (CID 1478603) is methyl 3-(2-ethoxy-2-oxoethoxy)thieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-(2-ethoxy-2-oxoethoxy)thieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-(2-ethoxy-2-oxoethoxy)thieno[2,3-b]pyridine-2-carboxylate is CCOC(=O)COc1c(C(=O)OC)sc2ncccc12.
What is the InChIKey of methyl 3-(2-ethoxy-2-oxoethoxy)thieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is KGCULOVUWAYGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO5S/c1-3-18-9(15)7-19-10-8-5-4-6-14-12(8)20-11(10)13(16)17-2/h4-6H,3,7H2,1-2H3.
What are the key properties of methyl 3-(2-ethoxy-2-oxoethoxy)thieno[2,3-b]pyridine-2-carboxylate?
methyl 3-(2-ethoxy-2-oxoethoxy)thieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 295.32 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-ethoxy-2-oxoethoxy)thieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 1478603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).