7-benzyl-4-hydroxy-6-oxothieno[2,3-b]pyridine-5-carboxylic acid

C15H11NO4S — CID 151457446

IUPAC7-benzyl-4-hydroxy-6-oxothieno[2,3-b]pyridine-5-carboxylic acid
SMILESO=C(O)c1c(O)c2ccsc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C15H11NO4S/c17-12-10-6-7-21-14(10)16(13(18)11(12)15(19)20)8-9-4-2-1-3-5-9/h1-7,17H,8H2,(H,19,20)
InChIKeyPHTBVPJMDFNPMJ-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.52
Rot. Bonds3

About 7-benzyl-4-hydroxy-6-oxothieno[2,3-b]pyridine-5-carboxylic acid

7-benzyl-4-hydroxy-6-oxothieno[2,3-b]pyridine-5-carboxylic acid (PubChem CID 151457446) has the molecular formula C15H11NO4S and a molecular weight of 301.32 g/mol. Its IUPAC name is 7-benzyl-4-hydroxy-6-oxothieno[2,3-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name7-benzyl-4-hydroxy-6-oxothieno[2,3-b]pyridine-5-carboxylic acid
PubChem CID151457446
Molecular FormulaC15H11NO4S
Molecular Weight301.32 g/mol
Exact Mass301.04
IUPAC Name7-benzyl-4-hydroxy-6-oxothieno[2,3-b]pyridine-5-carboxylic acid
SMILESO=C(O)c1c(O)c2ccsc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C15H11NO4S/c17-12-10-6-7-21-14(10)16(13(18)11(12)15(19)20)8-9-4-2-1-3-5-9/h1-7,17H,8H2,(H,19,20)
InChIKeyPHTBVPJMDFNPMJ-UHFFFAOYSA-N
XLogP2.52
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-4-hydroxy-6-oxothieno[2,3-b]pyridine-5-carboxylic acid?
The IUPAC name of 7-benzyl-4-hydroxy-6-oxothieno[2,3-b]pyridine-5-carboxylic acid (CID 151457446) is 7-benzyl-4-hydroxy-6-oxothieno[2,3-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 7-benzyl-4-hydroxy-6-oxothieno[2,3-b]pyridine-5-carboxylic acid?
The canonical SMILES for 7-benzyl-4-hydroxy-6-oxothieno[2,3-b]pyridine-5-carboxylic acid is O=C(O)c1c(O)c2ccsc2n(Cc2ccccc2)c1=O.
What is the InChIKey of 7-benzyl-4-hydroxy-6-oxothieno[2,3-b]pyridine-5-carboxylic acid?
The InChIKey is PHTBVPJMDFNPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4S/c17-12-10-6-7-21-14(10)16(13(18)11(12)15(19)20)8-9-4-2-1-3-5-9/h1-7,17H,8H2,(H,19,20).
What are the key properties of 7-benzyl-4-hydroxy-6-oxothieno[2,3-b]pyridine-5-carboxylic acid?
7-benzyl-4-hydroxy-6-oxothieno[2,3-b]pyridine-5-carboxylic acid has a molecular weight of 301.32 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-4-hydroxy-6-oxothieno[2,3-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 151457446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).