2-(oxaloamino)thieno[2,3-b]pyridine-3-carboxylic acid

C10H6N2O5S — CID 57259546

IUPAC2-(oxaloamino)thieno[2,3-b]pyridine-3-carboxylic acid
SMILESO=C(O)C(=O)Nc1sc2ncccc2c1C(=O)O
InChIInChI=1S/C10H6N2O5S/c13-6(10(16)17)12-8-5(9(14)15)4-2-1-3-11-7(4)18-8/h1-3H,(H,12,13)(H,14,15)(H,16,17)
InChIKeyVEYHYUCCZGIMMI-UHFFFAOYSA-N
MW266.23 g/mol
LogP1.02
Rot. Bonds2

About 2-(oxaloamino)thieno[2,3-b]pyridine-3-carboxylic acid

2-(oxaloamino)thieno[2,3-b]pyridine-3-carboxylic acid (PubChem CID 57259546) has the molecular formula C10H6N2O5S and a molecular weight of 266.23 g/mol. Its IUPAC name is 2-(oxaloamino)thieno[2,3-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(oxaloamino)thieno[2,3-b]pyridine-3-carboxylic acid
PubChem CID57259546
Molecular FormulaC10H6N2O5S
Molecular Weight266.23 g/mol
Exact Mass266.00
IUPAC Name2-(oxaloamino)thieno[2,3-b]pyridine-3-carboxylic acid
SMILESO=C(O)C(=O)Nc1sc2ncccc2c1C(=O)O
InChIInChI=1S/C10H6N2O5S/c13-6(10(16)17)12-8-5(9(14)15)4-2-1-3-11-7(4)18-8/h1-3H,(H,12,13)(H,14,15)(H,16,17)
InChIKeyVEYHYUCCZGIMMI-UHFFFAOYSA-N
XLogP1.02
TPSA116.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(oxaloamino)thieno[2,3-b]pyridine-3-carboxylic acid?
The IUPAC name of 2-(oxaloamino)thieno[2,3-b]pyridine-3-carboxylic acid (CID 57259546) is 2-(oxaloamino)thieno[2,3-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(oxaloamino)thieno[2,3-b]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(oxaloamino)thieno[2,3-b]pyridine-3-carboxylic acid is O=C(O)C(=O)Nc1sc2ncccc2c1C(=O)O.
What is the InChIKey of 2-(oxaloamino)thieno[2,3-b]pyridine-3-carboxylic acid?
The InChIKey is VEYHYUCCZGIMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O5S/c13-6(10(16)17)12-8-5(9(14)15)4-2-1-3-11-7(4)18-8/h1-3H,(H,12,13)(H,14,15)(H,16,17).
What are the key properties of 2-(oxaloamino)thieno[2,3-b]pyridine-3-carboxylic acid?
2-(oxaloamino)thieno[2,3-b]pyridine-3-carboxylic acid has a molecular weight of 266.23 g/mol, XLogP of 1.02, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxaloamino)thieno[2,3-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 57259546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).