5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylic acid

C8H5NO3S — CID 23130748

IUPAC5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cc2sccc2[nH]c1=O
InChIInChI=1S/C8H5NO3S/c10-7-4(8(11)12)3-6-5(9-7)1-2-13-6/h1-3H,(H,9,10)(H,11,12)
InChIKeyDPOYVWUTFCQSGF-UHFFFAOYSA-N
MW195.20 g/mol
LogP1.29
Rot. Bonds1

About 5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylic acid

5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylic acid (PubChem CID 23130748) has the molecular formula C8H5NO3S and a molecular weight of 195.20 g/mol. Its IUPAC name is 5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylic acid
PubChem CID23130748
Molecular FormulaC8H5NO3S
Molecular Weight195.20 g/mol
Exact Mass195.00
IUPAC Name5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cc2sccc2[nH]c1=O
InChIInChI=1S/C8H5NO3S/c10-7-4(8(11)12)3-6-5(9-7)1-2-13-6/h1-3H,(H,9,10)(H,11,12)
InChIKeyDPOYVWUTFCQSGF-UHFFFAOYSA-N
XLogP1.29
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.20
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-Dihydro-2-oxo-6-(2-thienyl)-3-pyridinecarboxylic acid
CID 21548074
Methyl 5,7-dihydroxythieno[3,2-b]pyridine-6-carboxylate
CID 54734580
7-Chloro-5-oxo-4,5-dihydro-thieno[3,2-b]pyridine-6-carboxylic acid ethyl ester
CID 15565856
2-oxo-6-(thiophen-2-ylmethyl)-1H-pyridine-3-carboxylic acid
CID 21548057
Ethyl 5,7-dihydroxythieno[3,2-b]pyridine-6-carboxylate
CID 54710119
N-tert-butyl-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide
CID 54729680
7-Hydroxy-5-oxo-4,5-dihydrothieno[3,2-b]pyridine-6-carboxylic acid
CID 54735409
5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide
CID 66942269
7-Hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carboxylic acid
CID 68721405
5-oxo-4H-thieno[3,2-b]pyridine-7-carboxylic acid
CID 69450967
2-bromo-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylic acid
CID 83668070
5H-thieno[3,2-b]pyridine-4,6-dicarboxylic acid
CID 90993428

Frequently Asked Questions

What is the IUPAC name of 5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylic acid?
The IUPAC name of 5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylic acid (CID 23130748) is 5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylic acid?
The canonical SMILES for 5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylic acid is O=C(O)c1cc2sccc2[nH]c1=O.
What is the InChIKey of 5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylic acid?
The InChIKey is DPOYVWUTFCQSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO3S/c10-7-4(8(11)12)3-6-5(9-7)1-2-13-6/h1-3H,(H,9,10)(H,11,12).
What are the key properties of 5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylic acid?
5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylic acid has a molecular weight of 195.20 g/mol, XLogP of 1.29, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 23130748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).