5-methyl-2-pyrrol-1-ylthiophene-3-carboxylic acid

C10H9NO2S — CID 2748348

IUPAC5-methyl-2-pyrrol-1-ylthiophene-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(-n2cccc2)s1
InChIInChI=1S/C10H9NO2S/c1-7-6-8(10(12)13)9(14-7)11-4-2-3-5-11/h2-6H,1H3,(H,12,13)
InChIKeyGHQHUPKIJXQWKT-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.55
Rot. Bonds2

About 5-methyl-2-pyrrol-1-ylthiophene-3-carboxylic acid

5-methyl-2-pyrrol-1-ylthiophene-3-carboxylic acid (PubChem CID 2748348) has the molecular formula C10H9NO2S and a molecular weight of 207.25 g/mol. Its IUPAC name is 5-methyl-2-pyrrol-1-ylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2-pyrrol-1-ylthiophene-3-carboxylic acid
PubChem CID2748348
Molecular FormulaC10H9NO2S
Molecular Weight207.25 g/mol
Exact Mass207.04
IUPAC Name5-methyl-2-pyrrol-1-ylthiophene-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(-n2cccc2)s1
InChIInChI=1S/C10H9NO2S/c1-7-6-8(10(12)13)9(14-7)11-4-2-3-5-11/h2-6H,1H3,(H,12,13)
InChIKeyGHQHUPKIJXQWKT-UHFFFAOYSA-N
XLogP2.55
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-pyrrol-1-ylthiophene-3-carboxylic acid?
The IUPAC name of 5-methyl-2-pyrrol-1-ylthiophene-3-carboxylic acid (CID 2748348) is 5-methyl-2-pyrrol-1-ylthiophene-3-carboxylic acid.
What is the SMILES notation for 5-methyl-2-pyrrol-1-ylthiophene-3-carboxylic acid?
The canonical SMILES for 5-methyl-2-pyrrol-1-ylthiophene-3-carboxylic acid is Cc1cc(C(=O)O)c(-n2cccc2)s1.
What is the InChIKey of 5-methyl-2-pyrrol-1-ylthiophene-3-carboxylic acid?
The InChIKey is GHQHUPKIJXQWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2S/c1-7-6-8(10(12)13)9(14-7)11-4-2-3-5-11/h2-6H,1H3,(H,12,13).
What are the key properties of 5-methyl-2-pyrrol-1-ylthiophene-3-carboxylic acid?
5-methyl-2-pyrrol-1-ylthiophene-3-carboxylic acid has a molecular weight of 207.25 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-pyrrol-1-ylthiophene-3-carboxylic acid is sourced from PubChem (CID 2748348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).