2-(2,5-dimethylpyrrol-1-yl)thiophene-3-carboxylic acid

C11H11NO2S — CID 2808627

IUPAC2-(2,5-dimethylpyrrol-1-yl)thiophene-3-carboxylic acid
SMILESCc1ccc(C)n1-c1sccc1C(=O)O
InChIInChI=1S/C11H11NO2S/c1-7-3-4-8(2)12(7)10-9(11(13)14)5-6-15-10/h3-6H,1-2H3,(H,13,14)
InChIKeyCZQNWEPGEWPUHA-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.85
Rot. Bonds2

About 2-(2,5-dimethylpyrrol-1-yl)thiophene-3-carboxylic acid

2-(2,5-dimethylpyrrol-1-yl)thiophene-3-carboxylic acid (PubChem CID 2808627) has the molecular formula C11H11NO2S and a molecular weight of 221.28 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrrol-1-yl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(2,5-dimethylpyrrol-1-yl)thiophene-3-carboxylic acid
PubChem CID2808627
Molecular FormulaC11H11NO2S
Molecular Weight221.28 g/mol
Exact Mass221.05
IUPAC Name2-(2,5-dimethylpyrrol-1-yl)thiophene-3-carboxylic acid
SMILESCc1ccc(C)n1-c1sccc1C(=O)O
InChIInChI=1S/C11H11NO2S/c1-7-3-4-8(2)12(7)10-9(11(13)14)5-6-15-10/h3-6H,1-2H3,(H,13,14)
InChIKeyCZQNWEPGEWPUHA-UHFFFAOYSA-N
XLogP2.85
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methyl-2-(2-thienyl)-1,3-thiazole-5-carboxylic acid
CID 2763746
4,5-Dimethyl-2-(1H-pyrrol-1-yl)thiophene-3-carboxylic acid
CID 900051
3-(2,5-dimethyl-1H-pyrrol-1-yl)thiophene-2-carboxylic acid
CID 2808418
4-methyl-3-(1H-pyrrol-1-yl)-2-thiophenecarboxylic acid
CID 3481483
2,5-Dimethyl-1-[(thiophen-2-yl)methyl]-1H-pyrrole-3-carboxylic acid
CID 2736309
2-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)-4,5-dimethyl-3-thiophenecarboxylic acid
CID 1265683
5-Methyl-2-pyrrol-1-yl-thiophene-3-carboxylic acid
CID 2748348
2-(2,5-dimethyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CID 2055729
3-(2,5-dimethyl-1H-pyrrol-1-yl)-4,5-dimethylthiophene-2-carboxylic acid
CID 754331
methyl 3-(2,5-dimethyl-1H-pyrrol-1-yl)thiophene-2-carboxylate
CID 2777655
1-(2-Fluorophenyl)-2-methyl-5-thiophen-2-ylpyrrole-3-carboxylic acid
CID 84007779
1-(4-Fluorophenyl)-2-methyl-5-thiophen-2-ylpyrrole-3-carboxylic acid
CID 84007780

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrrol-1-yl)thiophene-3-carboxylic acid?
The IUPAC name of 2-(2,5-dimethylpyrrol-1-yl)thiophene-3-carboxylic acid (CID 2808627) is 2-(2,5-dimethylpyrrol-1-yl)thiophene-3-carboxylic acid.
What is the SMILES notation for 2-(2,5-dimethylpyrrol-1-yl)thiophene-3-carboxylic acid?
The canonical SMILES for 2-(2,5-dimethylpyrrol-1-yl)thiophene-3-carboxylic acid is Cc1ccc(C)n1-c1sccc1C(=O)O.
What is the InChIKey of 2-(2,5-dimethylpyrrol-1-yl)thiophene-3-carboxylic acid?
The InChIKey is CZQNWEPGEWPUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S/c1-7-3-4-8(2)12(7)10-9(11(13)14)5-6-15-10/h3-6H,1-2H3,(H,13,14).
What are the key properties of 2-(2,5-dimethylpyrrol-1-yl)thiophene-3-carboxylic acid?
2-(2,5-dimethylpyrrol-1-yl)thiophene-3-carboxylic acid has a molecular weight of 221.28 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrrol-1-yl)thiophene-3-carboxylic acid is sourced from PubChem (CID 2808627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).