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

C16H13NO4S — CID 150602141

IUPAC7-benzyl-4-hydroxy-3-methyl-6-oxothieno[2,3-b]pyridine-5-carboxylic acid
SMILESCc1csc2c1c(O)c(C(=O)O)c(=O)n2Cc1ccccc1
InChIInChI=1S/C16H13NO4S/c1-9-8-22-15-11(9)13(18)12(16(20)21)14(19)17(15)7-10-5-3-2-4-6-10/h2-6,8,18H,7H2,1H3,(H,20,21)
InChIKeyISCDFCACXKCPFT-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.82
Rot. Bonds3

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

7-benzyl-4-hydroxy-3-methyl-6-oxothieno[2,3-b]pyridine-5-carboxylic acid (PubChem CID 150602141) has the molecular formula C16H13NO4S and a molecular weight of 315.35 g/mol. Its IUPAC name is 7-benzyl-4-hydroxy-3-methyl-6-oxothieno[2,3-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name7-benzyl-4-hydroxy-3-methyl-6-oxothieno[2,3-b]pyridine-5-carboxylic acid
PubChem CID150602141
Molecular FormulaC16H13NO4S
Molecular Weight315.35 g/mol
Exact Mass315.06
IUPAC Name7-benzyl-4-hydroxy-3-methyl-6-oxothieno[2,3-b]pyridine-5-carboxylic acid
SMILESCc1csc2c1c(O)c(C(=O)O)c(=O)n2Cc1ccccc1
InChIInChI=1S/C16H13NO4S/c1-9-8-22-15-11(9)13(18)12(16(20)21)14(19)17(15)7-10-5-3-2-4-6-10/h2-6,8,18H,7H2,1H3,(H,20,21)
InChIKeyISCDFCACXKCPFT-UHFFFAOYSA-N
XLogP2.82
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.82
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-3-methyl-6-oxothieno[2,3-b]pyridine-5-carboxylic acid?
The IUPAC name of 7-benzyl-4-hydroxy-3-methyl-6-oxothieno[2,3-b]pyridine-5-carboxylic acid (CID 150602141) is 7-benzyl-4-hydroxy-3-methyl-6-oxothieno[2,3-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 7-benzyl-4-hydroxy-3-methyl-6-oxothieno[2,3-b]pyridine-5-carboxylic acid?
The canonical SMILES for 7-benzyl-4-hydroxy-3-methyl-6-oxothieno[2,3-b]pyridine-5-carboxylic acid is Cc1csc2c1c(O)c(C(=O)O)c(=O)n2Cc1ccccc1.
What is the InChIKey of 7-benzyl-4-hydroxy-3-methyl-6-oxothieno[2,3-b]pyridine-5-carboxylic acid?
The InChIKey is ISCDFCACXKCPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4S/c1-9-8-22-15-11(9)13(18)12(16(20)21)14(19)17(15)7-10-5-3-2-4-6-10/h2-6,8,18H,7H2,1H3,(H,20,21).
What are the key properties of 7-benzyl-4-hydroxy-3-methyl-6-oxothieno[2,3-b]pyridine-5-carboxylic acid?
7-benzyl-4-hydroxy-3-methyl-6-oxothieno[2,3-b]pyridine-5-carboxylic acid has a molecular weight of 315.35 g/mol, XLogP of 2.82, 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-3-methyl-6-oxothieno[2,3-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 150602141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).