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

C9H7NO4S — CID 54734580

IUPACmethyl 7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylate
SMILESCOC(=O)c1c(O)c2sccc2[nH]c1=O
InChIInChI=1S/C9H7NO4S/c1-14-9(13)5-6(11)7-4(2-3-15-7)10-8(5)12/h2-3H,1H3,(H2,10,11,12)
InChIKeyKMALNJWPHHYHSM-UHFFFAOYSA-N
MW225.22 g/mol
LogP1.08
Rot. Bonds1

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

methyl 7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylate (PubChem CID 54734580) has the molecular formula C9H7NO4S and a molecular weight of 225.22 g/mol. Its IUPAC name is methyl 7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylate
PubChem CID54734580
Molecular FormulaC9H7NO4S
Molecular Weight225.22 g/mol
Exact Mass225.01
IUPAC Namemethyl 7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylate
SMILESCOC(=O)c1c(O)c2sccc2[nH]c1=O
InChIInChI=1S/C9H7NO4S/c1-14-9(13)5-6(11)7-4(2-3-15-7)10-8(5)12/h2-3H,1H3,(H2,10,11,12)
InChIKeyKMALNJWPHHYHSM-UHFFFAOYSA-N
XLogP1.08
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-(7-Hydroxy-4-methyl-5-oxo-4,5-dihydrothieno[3,2-b]pyridine-6-carboxamido)acetic Acid
CID 54749369
Thieno(3,2-b)pyridine-5,7-diol
CID 54679747
2-thiophenecarboxylic acid, 3-[[(2E)-3-carboxy-1-oxo-2-propenyl]amino]-, 2-methyl ester
CID 5885161
ethyl 7-hydroxy-4-methyl-5-oxo-4H,5H-thieno[3,2-b]pyridine-6-carboxylate
CID 57744891
methyl 3-{[(4,6-dimethyl-2-oxo-2H-pyran-5-yl)carbonyl]amino}thiophene-2-carboxylate
CID 659187
Methyl 3-(3-ethoxy-3-oxopropanamido)thiophene-2-carboxylate
CID 2807589
ethyl 7-hydroxy-3-methyl-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylate
CID 54686579
4-[(2-Methoxycarbonylthiophen-3-yl)amino]-4-oxobut-2-enoic acid
CID 3648317
5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylic acid
CID 23130748
7-Hydroxy-5-oxo-4,5-dihydro-thieno[3,2-b]pyridine-6-carbonitrile
CID 54679170
Ethyl 5,7-dihydroxythieno[3,2-b]pyridine-6-carboxylate
CID 54710119
Ethyl 4-butyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxylate
CID 54712467

Frequently Asked Questions

What is the IUPAC name of methyl 7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylate?
The IUPAC name of methyl 7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylate (CID 54734580) is methyl 7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylate.
What is the SMILES notation for methyl 7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylate?
The canonical SMILES for methyl 7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylate is COC(=O)c1c(O)c2sccc2[nH]c1=O.
What is the InChIKey of methyl 7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylate?
The InChIKey is KMALNJWPHHYHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO4S/c1-14-9(13)5-6(11)7-4(2-3-15-7)10-8(5)12/h2-3H,1H3,(H2,10,11,12).
What are the key properties of methyl 7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylate?
methyl 7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylate has a molecular weight of 225.22 g/mol, XLogP of 1.08, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylate is sourced from PubChem (CID 54734580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).