5-acetyl-3-methylthieno[2,3-b]pyridine-2-carboxylic acid

C11H9NO3S — CID 25312868

IUPAC5-acetyl-3-methylthieno[2,3-b]pyridine-2-carboxylic acid
SMILESCC(=O)c1cnc2sc(C(=O)O)c(C)c2c1
InChIInChI=1S/C11H9NO3S/c1-5-8-3-7(6(2)13)4-12-10(8)16-9(5)11(14)15/h3-4H,1-2H3,(H,14,15)
InChIKeyYUIIWTFBCSSENC-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.51
Rot. Bonds2

About 5-acetyl-3-methylthieno[2,3-b]pyridine-2-carboxylic acid

5-acetyl-3-methylthieno[2,3-b]pyridine-2-carboxylic acid (PubChem CID 25312868) has the molecular formula C11H9NO3S and a molecular weight of 235.26 g/mol. Its IUPAC name is 5-acetyl-3-methylthieno[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-acetyl-3-methylthieno[2,3-b]pyridine-2-carboxylic acid
PubChem CID25312868
Molecular FormulaC11H9NO3S
Molecular Weight235.26 g/mol
Exact Mass235.03
IUPAC Name5-acetyl-3-methylthieno[2,3-b]pyridine-2-carboxylic acid
SMILESCC(=O)c1cnc2sc(C(=O)O)c(C)c2c1
InChIInChI=1S/C11H9NO3S/c1-5-8-3-7(6(2)13)4-12-10(8)16-9(5)11(14)15/h3-4H,1-2H3,(H,14,15)
InChIKeyYUIIWTFBCSSENC-UHFFFAOYSA-N
XLogP2.51
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-methylthieno[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 5-acetyl-3-methylthieno[2,3-b]pyridine-2-carboxylic acid (CID 25312868) is 5-acetyl-3-methylthieno[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-acetyl-3-methylthieno[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 5-acetyl-3-methylthieno[2,3-b]pyridine-2-carboxylic acid is CC(=O)c1cnc2sc(C(=O)O)c(C)c2c1.
What is the InChIKey of 5-acetyl-3-methylthieno[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is YUIIWTFBCSSENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3S/c1-5-8-3-7(6(2)13)4-12-10(8)16-9(5)11(14)15/h3-4H,1-2H3,(H,14,15).
What are the key properties of 5-acetyl-3-methylthieno[2,3-b]pyridine-2-carboxylic acid?
5-acetyl-3-methylthieno[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 235.26 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-methylthieno[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 25312868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).