6-hydroxy-5-oxo-4-[(5-oxopyrrolidin-3-yl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid

C13H12N2O5S — CID 138512769

IUPAC6-hydroxy-5-oxo-4-[(5-oxopyrrolidin-3-yl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid
SMILESO=C1CC(Cn2c(=O)c(O)c(C(=O)O)c3sccc32)CN1
InChIInChI=1S/C13H12N2O5S/c16-8-3-6(4-14-8)5-15-7-1-2-21-11(7)9(13(19)20)10(17)12(15)18/h1-2,6,17H,3-5H2,(H,14,16)(H,19,20)
InChIKeyBABGNZMBJXDKCS-UHFFFAOYSA-N
MW308.31 g/mol
LogP0.60
Rot. Bonds3

About 6-hydroxy-5-oxo-4-[(5-oxopyrrolidin-3-yl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid

6-hydroxy-5-oxo-4-[(5-oxopyrrolidin-3-yl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid (PubChem CID 138512769) has the molecular formula C13H12N2O5S and a molecular weight of 308.31 g/mol. Its IUPAC name is 6-hydroxy-5-oxo-4-[(5-oxopyrrolidin-3-yl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name6-hydroxy-5-oxo-4-[(5-oxopyrrolidin-3-yl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid
PubChem CID138512769
Molecular FormulaC13H12N2O5S
Molecular Weight308.31 g/mol
Exact Mass308.05
IUPAC Name6-hydroxy-5-oxo-4-[(5-oxopyrrolidin-3-yl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid
SMILESO=C1CC(Cn2c(=O)c(O)c(C(=O)O)c3sccc32)CN1
InChIInChI=1S/C13H12N2O5S/c16-8-3-6(4-14-8)5-15-7-1-2-21-11(7)9(13(19)20)10(17)12(15)18/h1-2,6,17H,3-5H2,(H,14,16)(H,19,20)
InChIKeyBABGNZMBJXDKCS-UHFFFAOYSA-N
XLogP0.60
TPSA108.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-oxo-4-[(5-oxopyrrolidin-3-yl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid?
The IUPAC name of 6-hydroxy-5-oxo-4-[(5-oxopyrrolidin-3-yl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid (CID 138512769) is 6-hydroxy-5-oxo-4-[(5-oxopyrrolidin-3-yl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 6-hydroxy-5-oxo-4-[(5-oxopyrrolidin-3-yl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid?
The canonical SMILES for 6-hydroxy-5-oxo-4-[(5-oxopyrrolidin-3-yl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid is O=C1CC(Cn2c(=O)c(O)c(C(=O)O)c3sccc32)CN1.
What is the InChIKey of 6-hydroxy-5-oxo-4-[(5-oxopyrrolidin-3-yl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid?
The InChIKey is BABGNZMBJXDKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O5S/c16-8-3-6(4-14-8)5-15-7-1-2-21-11(7)9(13(19)20)10(17)12(15)18/h1-2,6,17H,3-5H2,(H,14,16)(H,19,20).
What are the key properties of 6-hydroxy-5-oxo-4-[(5-oxopyrrolidin-3-yl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid?
6-hydroxy-5-oxo-4-[(5-oxopyrrolidin-3-yl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid has a molecular weight of 308.31 g/mol, XLogP of 0.60, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-oxo-4-[(5-oxopyrrolidin-3-yl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 138512769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).