5-(5-chlorothiophen-2-yl)-1-ethylpyrrole-2-carboxylic acid

C11H10ClNO2S — CID 82088851

IUPAC5-(5-chlorothiophen-2-yl)-1-ethylpyrrole-2-carboxylic acid
SMILESCCn1c(C(=O)O)ccc1-c1ccc(Cl)s1
InChIInChI=1S/C11H10ClNO2S/c1-2-13-7(3-4-8(13)11(14)15)9-5-6-10(12)16-9/h3-6H,2H2,1H3,(H,14,15)
InChIKeyIYNKHMXQBMDHTC-UHFFFAOYSA-N
MW255.73 g/mol
LogP3.59
Rot. Bonds3

About 5-(5-chlorothiophen-2-yl)-1-ethylpyrrole-2-carboxylic acid

5-(5-chlorothiophen-2-yl)-1-ethylpyrrole-2-carboxylic acid (PubChem CID 82088851) has the molecular formula C11H10ClNO2S and a molecular weight of 255.73 g/mol. Its IUPAC name is 5-(5-chlorothiophen-2-yl)-1-ethylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name5-(5-chlorothiophen-2-yl)-1-ethylpyrrole-2-carboxylic acid
PubChem CID82088851
Molecular FormulaC11H10ClNO2S
Molecular Weight255.73 g/mol
Exact Mass255.01
IUPAC Name5-(5-chlorothiophen-2-yl)-1-ethylpyrrole-2-carboxylic acid
SMILESCCn1c(C(=O)O)ccc1-c1ccc(Cl)s1
InChIInChI=1S/C11H10ClNO2S/c1-2-13-7(3-4-8(13)11(14)15)9-5-6-10(12)16-9/h3-6H,2H2,1H3,(H,14,15)
InChIKeyIYNKHMXQBMDHTC-UHFFFAOYSA-N
XLogP3.59
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.73
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(5-chlorothiophen-2-yl)-1-(2-hydroxyethyl)pyrrole-2-carboxylic acid
CID 82093290
5-(4-chloro-2-fluorophenyl)-1-ethylpyrrole-2-carboxylic acid
CID 43671806
5-(4-bromo-3-chlorophenyl)-1-ethylpyrrole-2-carboxylic acid
CID 107615544
5-(2-bromo-5-chlorophenyl)-1-ethylpyrrole-2-carboxylic acid
CID 81275513
5-(5-chlorothiophen-2-yl)-1-propylpyrazole-3-carboxylic acid
CID 42879169
1-ethyl-5-(2,3,5,6-tetrafluorophenyl)pyrrole-2-carboxylic acid
CID 107645794
3-(5-chlorothiophen-2-yl)-1-methylpyrazole-5-carboxylic acid
CID 82293487
1,5-diethylpyrrole-2-carboxylic acid
CID 100792524
5-(4-ethoxyphenyl)-1-ethylpyrrole-2-carboxylic acid
CID 82089839
1-ethyl-5-(2-methoxyphenyl)pyrrole-2-carboxylic acid
CID 82085731
1-ethyl-5-(4-fluoro-3-methylphenyl)pyrrole-2-carboxylic acid
CID 62812751
1-ethyl-5-(4-fluoro-2-methylphenyl)pyrrole-2-carboxylic acid
CID 43671786

Frequently Asked Questions

What is the IUPAC name of 5-(5-chlorothiophen-2-yl)-1-ethylpyrrole-2-carboxylic acid?
The IUPAC name of 5-(5-chlorothiophen-2-yl)-1-ethylpyrrole-2-carboxylic acid (CID 82088851) is 5-(5-chlorothiophen-2-yl)-1-ethylpyrrole-2-carboxylic acid.
What is the SMILES notation for 5-(5-chlorothiophen-2-yl)-1-ethylpyrrole-2-carboxylic acid?
The canonical SMILES for 5-(5-chlorothiophen-2-yl)-1-ethylpyrrole-2-carboxylic acid is CCn1c(C(=O)O)ccc1-c1ccc(Cl)s1.
What is the InChIKey of 5-(5-chlorothiophen-2-yl)-1-ethylpyrrole-2-carboxylic acid?
The InChIKey is IYNKHMXQBMDHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO2S/c1-2-13-7(3-4-8(13)11(14)15)9-5-6-10(12)16-9/h3-6H,2H2,1H3,(H,14,15).
What are the key properties of 5-(5-chlorothiophen-2-yl)-1-ethylpyrrole-2-carboxylic acid?
5-(5-chlorothiophen-2-yl)-1-ethylpyrrole-2-carboxylic acid has a molecular weight of 255.73 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chlorothiophen-2-yl)-1-ethylpyrrole-2-carboxylic acid is sourced from PubChem (CID 82088851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).