ethyl thieno[2,3-b]pyridine-2-carboxylate

C10H9NO2S — CID 7162091

IUPACethyl thieno[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1cc2cccnc2s1
InChIInChI=1S/C10H9NO2S/c1-2-13-10(12)8-6-7-4-3-5-11-9(7)14-8/h3-6H,2H2,1H3
InChIKeyLDFDUMUSLKWQIQ-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.47
Rot. Bonds2

About ethyl thieno[2,3-b]pyridine-2-carboxylate

ethyl thieno[2,3-b]pyridine-2-carboxylate (PubChem CID 7162091) has the molecular formula C10H9NO2S and a molecular weight of 207.25 g/mol. Its IUPAC name is ethyl thieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl thieno[2,3-b]pyridine-2-carboxylate
PubChem CID7162091
Molecular FormulaC10H9NO2S
Molecular Weight207.25 g/mol
Exact Mass207.04
IUPAC Nameethyl thieno[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1cc2cccnc2s1
InChIInChI=1S/C10H9NO2S/c1-2-13-10(12)8-6-7-4-3-5-11-9(7)14-8/h3-6H,2H2,1H3
InChIKeyLDFDUMUSLKWQIQ-UHFFFAOYSA-N
XLogP2.47
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl thieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of ethyl thieno[2,3-b]pyridine-2-carboxylate (CID 7162091) is ethyl thieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for ethyl thieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for ethyl thieno[2,3-b]pyridine-2-carboxylate is CCOC(=O)c1cc2cccnc2s1.
What is the InChIKey of ethyl thieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is LDFDUMUSLKWQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2S/c1-2-13-10(12)8-6-7-4-3-5-11-9(7)14-8/h3-6H,2H2,1H3.
What are the key properties of ethyl thieno[2,3-b]pyridine-2-carboxylate?
ethyl thieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 207.25 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl thieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 7162091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).