ethyl 4-hydroxy-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate

C10H9NO4S — CID 54734835

IUPACethyl 4-hydroxy-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1c(O)c2ccsc2[nH]c1=O
InChIInChI=1S/C10H9NO4S/c1-2-15-10(14)6-7(12)5-3-4-16-9(5)11-8(6)13/h3-4H,2H2,1H3,(H2,11,12,13)
InChIKeyRODNASQPMSZQGR-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.47
Rot. Bonds2

About ethyl 4-hydroxy-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate

ethyl 4-hydroxy-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate (PubChem CID 54734835) has the molecular formula C10H9NO4S and a molecular weight of 239.25 g/mol. Its IUPAC name is ethyl 4-hydroxy-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate
PubChem CID54734835
Molecular FormulaC10H9NO4S
Molecular Weight239.25 g/mol
Exact Mass239.03
IUPAC Nameethyl 4-hydroxy-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1c(O)c2ccsc2[nH]c1=O
InChIInChI=1S/C10H9NO4S/c1-2-15-10(14)6-7(12)5-3-4-16-9(5)11-8(6)13/h3-4H,2H2,1H3,(H2,11,12,13)
InChIKeyRODNASQPMSZQGR-UHFFFAOYSA-N
XLogP1.47
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 4-hydroxy-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

octan-3-yl 4-hydroxy-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate
CID 150287018
ethyl 4-(2-bromoethyl)-6H-thieno[2,3-b]pyrrole-5-carboxylate
CID 13275563
ethyl 7-hydroxy-3-methyl-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylate
CID 54686579
ethyl 4-hydroxy-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate
CID 54694602
ethyl 5-ethyl-4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carboxylate;molecular hydrogen
CID 144616781
ethyl 4-(iodomethyl)-2-oxo-1H-quinoline-3-carboxylate
CID 89329733
ethyl 6-decoxy-7-ethoxy-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate
CID 123144024
ethyl 2-(4-oxo-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-3-yl)acetate
CID 60811370
ethyl 6-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate
CID 54738298
ethyl 3-methyl-1-oxo-2H-isoquinoline-4-carboxylate
CID 12677994
ethyl 5,7-diethyl-4-hydroxy-2-oxo-1H-1,6-naphthyridine-3-carboxylate
CID 54684680
ethyl 3-hydroxy-6-iodo-2-oxo-1H-quinoline-4-carboxylate
CID 86731085

Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 4-hydroxy-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate (CID 54734835) is ethyl 4-hydroxy-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate is CCOC(=O)c1c(O)c2ccsc2[nH]c1=O.
What is the InChIKey of ethyl 4-hydroxy-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate?
The InChIKey is RODNASQPMSZQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO4S/c1-2-15-10(14)6-7(12)5-3-4-16-9(5)11-8(6)13/h3-4H,2H2,1H3,(H2,11,12,13).
What are the key properties of ethyl 4-hydroxy-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate?
ethyl 4-hydroxy-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate has a molecular weight of 239.25 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate is sourced from PubChem (CID 54734835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).