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

C10H9NO2S — CID 141156722

IUPACethyl thieno[3,2-b]pyridine-3-carboxylate
SMILESCCOC(=O)c1csc2cccnc12
InChIInChI=1S/C10H9NO2S/c1-2-13-10(12)7-6-14-8-4-3-5-11-9(7)8/h3-6H,2H2,1H3
InChIKeyNMBFYSJMEPCYSY-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.47
Rot. Bonds2

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

ethyl thieno[3,2-b]pyridine-3-carboxylate (PubChem CID 141156722) has the molecular formula C10H9NO2S and a molecular weight of 207.25 g/mol. Its IUPAC name is ethyl thieno[3,2-b]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl thieno[3,2-b]pyridine-3-carboxylate
PubChem CID141156722
Molecular FormulaC10H9NO2S
Molecular Weight207.25 g/mol
Exact Mass207.04
IUPAC Nameethyl thieno[3,2-b]pyridine-3-carboxylate
SMILESCCOC(=O)c1csc2cccnc12
InChIInChI=1S/C10H9NO2S/c1-2-13-10(12)7-6-14-8-4-3-5-11-9(7)8/h3-6H,2H2,1H3
InChIKeyNMBFYSJMEPCYSY-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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Related Compounds

2-amino-1-thieno[3,2-b]pyridin-3-ylethanone
CID 23198093
ethyl 1-benzothiophene-3-carboxylate
CID 898679
ethyl 1,6-naphthyridine-8-carboxylate
CID 141265974
ethyl thieno[3,2-c]pyridine-3-carboxylate
CID 68730980
ethyl 2-ethynylpyridine-3-carboxylate
CID 54287317
ethyl 6-hydroxyquinoline-8-carboxylate
CID 134613311
ethyl 2-(2-iodo-1,3-thiazol-4-yl)pyridine-3-carboxylate
CID 146331532
ethyl 2-(1,3-thiazol-4-yl)pyridine-3-carboxylate
CID 146331533
ethyl pyridine-2-carboxylate
CID 17307
ethyl 2-hydrazinylpyridine-3-carboxylate;hydrochloride
CID 146675652
2-aminopyridine-3-carboxylic acid;ethyl 2-aminopyridine-3-carboxylate
CID 159950577
ethyl 2-phenylpyridine-3-carboxylate
CID 10846916

Frequently Asked Questions

What is the IUPAC name of ethyl thieno[3,2-b]pyridine-3-carboxylate?
The IUPAC name of ethyl thieno[3,2-b]pyridine-3-carboxylate (CID 141156722) is ethyl thieno[3,2-b]pyridine-3-carboxylate.
What is the SMILES notation for ethyl thieno[3,2-b]pyridine-3-carboxylate?
The canonical SMILES for ethyl thieno[3,2-b]pyridine-3-carboxylate is CCOC(=O)c1csc2cccnc12.
What is the InChIKey of ethyl thieno[3,2-b]pyridine-3-carboxylate?
The InChIKey is NMBFYSJMEPCYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2S/c1-2-13-10(12)7-6-14-8-4-3-5-11-9(7)8/h3-6H,2H2,1H3.
What are the key properties of ethyl thieno[3,2-b]pyridine-3-carboxylate?
ethyl thieno[3,2-b]pyridine-3-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[3,2-b]pyridine-3-carboxylate is sourced from PubChem (CID 141156722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).