5-(4-chlorophenyl)-1-ethenylpyrrole-2-carboxylic acid

C13H10ClNO2 — CID 773808

IUPAC5-(4-chlorophenyl)-1-ethenylpyrrole-2-carboxylic acid
SMILESC=Cn1c(C(=O)O)ccc1-c1ccc(Cl)cc1
InChIInChI=1S/C13H10ClNO2/c1-2-15-11(7-8-12(15)13(16)17)9-3-5-10(14)6-4-9/h2-8H,1H2,(H,16,17)
InChIKeyPUKWBFVMKZYCMR-UHFFFAOYSA-N
MW247.68 g/mol
LogP3.61
Rot. Bonds3

About 5-(4-chlorophenyl)-1-ethenylpyrrole-2-carboxylic acid

5-(4-chlorophenyl)-1-ethenylpyrrole-2-carboxylic acid (PubChem CID 773808) has the molecular formula C13H10ClNO2 and a molecular weight of 247.68 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-ethenylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-ethenylpyrrole-2-carboxylic acid
PubChem CID773808
Molecular FormulaC13H10ClNO2
Molecular Weight247.68 g/mol
Exact Mass247.04
IUPAC Name5-(4-chlorophenyl)-1-ethenylpyrrole-2-carboxylic acid
SMILESC=Cn1c(C(=O)O)ccc1-c1ccc(Cl)cc1
InChIInChI=1S/C13H10ClNO2/c1-2-15-11(7-8-12(15)13(16)17)9-3-5-10(14)6-4-9/h2-8H,1H2,(H,16,17)
InChIKeyPUKWBFVMKZYCMR-UHFFFAOYSA-N
XLogP3.61
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.68
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(4-chlorophenyl)-1-ethenylpyrrole-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-(4-chlorophenyl)-1-ethenylpyrrole-2-carboxylic acid?
The IUPAC name of 5-(4-chlorophenyl)-1-ethenylpyrrole-2-carboxylic acid (CID 773808) is 5-(4-chlorophenyl)-1-ethenylpyrrole-2-carboxylic acid.
What is the SMILES notation for 5-(4-chlorophenyl)-1-ethenylpyrrole-2-carboxylic acid?
The canonical SMILES for 5-(4-chlorophenyl)-1-ethenylpyrrole-2-carboxylic acid is C=Cn1c(C(=O)O)ccc1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-1-ethenylpyrrole-2-carboxylic acid?
The InChIKey is PUKWBFVMKZYCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO2/c1-2-15-11(7-8-12(15)13(16)17)9-3-5-10(14)6-4-9/h2-8H,1H2,(H,16,17).
What are the key properties of 5-(4-chlorophenyl)-1-ethenylpyrrole-2-carboxylic acid?
5-(4-chlorophenyl)-1-ethenylpyrrole-2-carboxylic acid has a molecular weight of 247.68 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-ethenylpyrrole-2-carboxylic acid is sourced from PubChem (CID 773808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).