5-(5-chlorothiophen-2-yl)-1-(2-hydroxyethyl)pyrrole-2-carboxylic acid

C11H10ClNO3S — CID 82093290

IUPAC5-(5-chlorothiophen-2-yl)-1-(2-hydroxyethyl)pyrrole-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccc(Cl)s2)n1CCO
InChIInChI=1S/C11H10ClNO3S/c12-10-4-3-9(17-10)7-1-2-8(11(15)16)13(7)5-6-14/h1-4,14H,5-6H2,(H,15,16)
InChIKeyZLOSBGUFTYPPNI-UHFFFAOYSA-N
MW271.72 g/mol
LogP2.56
Rot. Bonds4

About 5-(5-chlorothiophen-2-yl)-1-(2-hydroxyethyl)pyrrole-2-carboxylic acid

5-(5-chlorothiophen-2-yl)-1-(2-hydroxyethyl)pyrrole-2-carboxylic acid (PubChem CID 82093290) has the molecular formula C11H10ClNO3S and a molecular weight of 271.72 g/mol. Its IUPAC name is 5-(5-chlorothiophen-2-yl)-1-(2-hydroxyethyl)pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name5-(5-chlorothiophen-2-yl)-1-(2-hydroxyethyl)pyrrole-2-carboxylic acid
PubChem CID82093290
Molecular FormulaC11H10ClNO3S
Molecular Weight271.72 g/mol
Exact Mass271.01
IUPAC Name5-(5-chlorothiophen-2-yl)-1-(2-hydroxyethyl)pyrrole-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccc(Cl)s2)n1CCO
InChIInChI=1S/C11H10ClNO3S/c12-10-4-3-9(17-10)7-1-2-8(11(15)16)13(7)5-6-14/h1-4,14H,5-6H2,(H,15,16)
InChIKeyZLOSBGUFTYPPNI-UHFFFAOYSA-N
XLogP2.56
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.72
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(5-chlorothiophen-2-yl)-1-(2-hydroxyethyl)pyrrole-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(5-chlorothiophen-2-yl)-1-(2-hydroxyethyl)pyrrole-2-carboxylic acid?
The IUPAC name of 5-(5-chlorothiophen-2-yl)-1-(2-hydroxyethyl)pyrrole-2-carboxylic acid (CID 82093290) is 5-(5-chlorothiophen-2-yl)-1-(2-hydroxyethyl)pyrrole-2-carboxylic acid.
What is the SMILES notation for 5-(5-chlorothiophen-2-yl)-1-(2-hydroxyethyl)pyrrole-2-carboxylic acid?
The canonical SMILES for 5-(5-chlorothiophen-2-yl)-1-(2-hydroxyethyl)pyrrole-2-carboxylic acid is O=C(O)c1ccc(-c2ccc(Cl)s2)n1CCO.
What is the InChIKey of 5-(5-chlorothiophen-2-yl)-1-(2-hydroxyethyl)pyrrole-2-carboxylic acid?
The InChIKey is ZLOSBGUFTYPPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO3S/c12-10-4-3-9(17-10)7-1-2-8(11(15)16)13(7)5-6-14/h1-4,14H,5-6H2,(H,15,16).
What are the key properties of 5-(5-chlorothiophen-2-yl)-1-(2-hydroxyethyl)pyrrole-2-carboxylic acid?
5-(5-chlorothiophen-2-yl)-1-(2-hydroxyethyl)pyrrole-2-carboxylic acid has a molecular weight of 271.72 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chlorothiophen-2-yl)-1-(2-hydroxyethyl)pyrrole-2-carboxylic acid is sourced from PubChem (CID 82093290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).