3-(carboxymethoxy)-4-methyl-5-pyridin-4-ylthiophene-2-carboxylic acid

C13H11NO5S — CID 68832611

IUPAC3-(carboxymethoxy)-4-methyl-5-pyridin-4-ylthiophene-2-carboxylic acid
SMILESCc1c(-c2ccncc2)sc(C(=O)O)c1OCC(=O)O
InChIInChI=1S/C13H11NO5S/c1-7-10(19-6-9(15)16)12(13(17)18)20-11(7)8-2-4-14-5-3-8/h2-5H,6H2,1H3,(H,15,16)(H,17,18)
InChIKeyNWDTYPGUTMIKJE-UHFFFAOYSA-N
MW293.30 g/mol
LogP2.28
Rot. Bonds5

About 3-(carboxymethoxy)-4-methyl-5-pyridin-4-ylthiophene-2-carboxylic acid

3-(carboxymethoxy)-4-methyl-5-pyridin-4-ylthiophene-2-carboxylic acid (PubChem CID 68832611) has the molecular formula C13H11NO5S and a molecular weight of 293.30 g/mol. Its IUPAC name is 3-(carboxymethoxy)-4-methyl-5-pyridin-4-ylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(carboxymethoxy)-4-methyl-5-pyridin-4-ylthiophene-2-carboxylic acid
PubChem CID68832611
Molecular FormulaC13H11NO5S
Molecular Weight293.30 g/mol
Exact Mass293.04
IUPAC Name3-(carboxymethoxy)-4-methyl-5-pyridin-4-ylthiophene-2-carboxylic acid
SMILESCc1c(-c2ccncc2)sc(C(=O)O)c1OCC(=O)O
InChIInChI=1S/C13H11NO5S/c1-7-10(19-6-9(15)16)12(13(17)18)20-11(7)8-2-4-14-5-3-8/h2-5H,6H2,1H3,(H,15,16)(H,17,18)
InChIKeyNWDTYPGUTMIKJE-UHFFFAOYSA-N
XLogP2.28
TPSA96.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(carboxymethoxy)-4-methyl-5-pyridin-4-ylthiophene-2-carboxylic acid?
The IUPAC name of 3-(carboxymethoxy)-4-methyl-5-pyridin-4-ylthiophene-2-carboxylic acid (CID 68832611) is 3-(carboxymethoxy)-4-methyl-5-pyridin-4-ylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-(carboxymethoxy)-4-methyl-5-pyridin-4-ylthiophene-2-carboxylic acid?
The canonical SMILES for 3-(carboxymethoxy)-4-methyl-5-pyridin-4-ylthiophene-2-carboxylic acid is Cc1c(-c2ccncc2)sc(C(=O)O)c1OCC(=O)O.
What is the InChIKey of 3-(carboxymethoxy)-4-methyl-5-pyridin-4-ylthiophene-2-carboxylic acid?
The InChIKey is NWDTYPGUTMIKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO5S/c1-7-10(19-6-9(15)16)12(13(17)18)20-11(7)8-2-4-14-5-3-8/h2-5H,6H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 3-(carboxymethoxy)-4-methyl-5-pyridin-4-ylthiophene-2-carboxylic acid?
3-(carboxymethoxy)-4-methyl-5-pyridin-4-ylthiophene-2-carboxylic acid has a molecular weight of 293.30 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carboxymethoxy)-4-methyl-5-pyridin-4-ylthiophene-2-carboxylic acid is sourced from PubChem (CID 68832611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).