6-hydroxy-4-(oxan-4-ylmethyl)-5-oxothieno[3,2-b]pyridine-7-carboxylic acid

C14H15NO5S — CID 138512802

IUPAC6-hydroxy-4-(oxan-4-ylmethyl)-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
SMILESO=C(O)c1c(O)c(=O)n(CC2CCOCC2)c2ccsc12
InChIInChI=1S/C14H15NO5S/c16-11-10(14(18)19)12-9(3-6-21-12)15(13(11)17)7-8-1-4-20-5-2-8/h3,6,8,16H,1-2,4-5,7H2,(H,18,19)
InChIKeyAIQSVQKGWULOOE-UHFFFAOYSA-N
MW309.34 g/mol
LogP1.89
Rot. Bonds3

About 6-hydroxy-4-(oxan-4-ylmethyl)-5-oxothieno[3,2-b]pyridine-7-carboxylic acid

6-hydroxy-4-(oxan-4-ylmethyl)-5-oxothieno[3,2-b]pyridine-7-carboxylic acid (PubChem CID 138512802) has the molecular formula C14H15NO5S and a molecular weight of 309.34 g/mol. Its IUPAC name is 6-hydroxy-4-(oxan-4-ylmethyl)-5-oxothieno[3,2-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name6-hydroxy-4-(oxan-4-ylmethyl)-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
PubChem CID138512802
Molecular FormulaC14H15NO5S
Molecular Weight309.34 g/mol
Exact Mass309.07
IUPAC Name6-hydroxy-4-(oxan-4-ylmethyl)-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
SMILESO=C(O)c1c(O)c(=O)n(CC2CCOCC2)c2ccsc12
InChIInChI=1S/C14H15NO5S/c16-11-10(14(18)19)12-9(3-6-21-12)15(13(11)17)7-8-1-4-20-5-2-8/h3,6,8,16H,1-2,4-5,7H2,(H,18,19)
InChIKeyAIQSVQKGWULOOE-UHFFFAOYSA-N
XLogP1.89
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-4-(oxan-4-ylmethyl)-5-oxothieno[3,2-b]pyridine-7-carboxylic acid?
The IUPAC name of 6-hydroxy-4-(oxan-4-ylmethyl)-5-oxothieno[3,2-b]pyridine-7-carboxylic acid (CID 138512802) is 6-hydroxy-4-(oxan-4-ylmethyl)-5-oxothieno[3,2-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 6-hydroxy-4-(oxan-4-ylmethyl)-5-oxothieno[3,2-b]pyridine-7-carboxylic acid?
The canonical SMILES for 6-hydroxy-4-(oxan-4-ylmethyl)-5-oxothieno[3,2-b]pyridine-7-carboxylic acid is O=C(O)c1c(O)c(=O)n(CC2CCOCC2)c2ccsc12.
What is the InChIKey of 6-hydroxy-4-(oxan-4-ylmethyl)-5-oxothieno[3,2-b]pyridine-7-carboxylic acid?
The InChIKey is AIQSVQKGWULOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5S/c16-11-10(14(18)19)12-9(3-6-21-12)15(13(11)17)7-8-1-4-20-5-2-8/h3,6,8,16H,1-2,4-5,7H2,(H,18,19).
What are the key properties of 6-hydroxy-4-(oxan-4-ylmethyl)-5-oxothieno[3,2-b]pyridine-7-carboxylic acid?
6-hydroxy-4-(oxan-4-ylmethyl)-5-oxothieno[3,2-b]pyridine-7-carboxylic acid has a molecular weight of 309.34 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-4-(oxan-4-ylmethyl)-5-oxothieno[3,2-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 138512802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).