7-ethyl-2-methyl-4-oxothieno[2,3-b]pyridine-5-carboxylic acid

C11H11NO3S — CID 3045247

IUPAC7-ethyl-2-methyl-4-oxothieno[2,3-b]pyridine-5-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2cc(C)sc21
InChIInChI=1S/C11H11NO3S/c1-3-12-5-8(11(14)15)9(13)7-4-6(2)16-10(7)12/h4-5H,3H2,1-2H3,(H,14,15)
InChIKeyJLLCZRLPPPCXFR-UHFFFAOYSA-N
MW237.28 g/mol
LogP2.09
Rot. Bonds2

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

7-ethyl-2-methyl-4-oxothieno[2,3-b]pyridine-5-carboxylic acid (PubChem CID 3045247) has the molecular formula C11H11NO3S and a molecular weight of 237.28 g/mol. Its IUPAC name is 7-ethyl-2-methyl-4-oxothieno[2,3-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name7-ethyl-2-methyl-4-oxothieno[2,3-b]pyridine-5-carboxylic acid
PubChem CID3045247
Molecular FormulaC11H11NO3S
Molecular Weight237.28 g/mol
Exact Mass237.05
IUPAC Name7-ethyl-2-methyl-4-oxothieno[2,3-b]pyridine-5-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2cc(C)sc21
InChIInChI=1S/C11H11NO3S/c1-3-12-5-8(11(14)15)9(13)7-4-6(2)16-10(7)12/h4-5H,3H2,1-2H3,(H,14,15)
InChIKeyJLLCZRLPPPCXFR-UHFFFAOYSA-N
XLogP2.09
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-methyl-4-oxothieno[2,3-b]pyridine-5-carboxylic acid?
The IUPAC name of 7-ethyl-2-methyl-4-oxothieno[2,3-b]pyridine-5-carboxylic acid (CID 3045247) is 7-ethyl-2-methyl-4-oxothieno[2,3-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 7-ethyl-2-methyl-4-oxothieno[2,3-b]pyridine-5-carboxylic acid?
The canonical SMILES for 7-ethyl-2-methyl-4-oxothieno[2,3-b]pyridine-5-carboxylic acid is CCn1cc(C(=O)O)c(=O)c2cc(C)sc21.
What is the InChIKey of 7-ethyl-2-methyl-4-oxothieno[2,3-b]pyridine-5-carboxylic acid?
The InChIKey is JLLCZRLPPPCXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3S/c1-3-12-5-8(11(14)15)9(13)7-4-6(2)16-10(7)12/h4-5H,3H2,1-2H3,(H,14,15).
What are the key properties of 7-ethyl-2-methyl-4-oxothieno[2,3-b]pyridine-5-carboxylic acid?
7-ethyl-2-methyl-4-oxothieno[2,3-b]pyridine-5-carboxylic acid has a molecular weight of 237.28 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-methyl-4-oxothieno[2,3-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 3045247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).