4-chloro-1-(2-chlorophenyl)pyrrole-2-carboxylic acid

C11H7Cl2NO2 — CID 114603238

IUPAC4-chloro-1-(2-chlorophenyl)pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(Cl)cn1-c1ccccc1Cl
InChIInChI=1S/C11H7Cl2NO2/c12-7-5-10(11(15)16)14(6-7)9-4-2-1-3-8(9)13/h1-6H,(H,15,16)
InChIKeyIYEHQSVEZQENLD-UHFFFAOYSA-N
MW256.09 g/mol
LogP3.48
Rot. Bonds2

About 4-chloro-1-(2-chlorophenyl)pyrrole-2-carboxylic acid

4-chloro-1-(2-chlorophenyl)pyrrole-2-carboxylic acid (PubChem CID 114603238) has the molecular formula C11H7Cl2NO2 and a molecular weight of 256.09 g/mol. Its IUPAC name is 4-chloro-1-(2-chlorophenyl)pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-chloro-1-(2-chlorophenyl)pyrrole-2-carboxylic acid
PubChem CID114603238
Molecular FormulaC11H7Cl2NO2
Molecular Weight256.09 g/mol
Exact Mass254.99
IUPAC Name4-chloro-1-(2-chlorophenyl)pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(Cl)cn1-c1ccccc1Cl
InChIInChI=1S/C11H7Cl2NO2/c12-7-5-10(11(15)16)14(6-7)9-4-2-1-3-8(9)13/h1-6H,(H,15,16)
InChIKeyIYEHQSVEZQENLD-UHFFFAOYSA-N
XLogP3.48
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.09
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-chloro-1-(2-chlorophenyl)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

Related Compounds

4-chloro-1-(2-fluoro-4-methylphenyl)pyrrole-2-carboxylic acid
CID 114603655
4-chloro-1-(5-fluoro-2-methylphenyl)pyrrole-2-carboxylic acid
CID 114603586
1-(3-bromo-4-chlorophenyl)-4-chloropyrrole-2-carboxylic acid
CID 114606015
1-(2-chlorophenyl)pyrrole-3-carboxylic acid
CID 933589
4-chloro-1-(3,4-dimethylphenyl)pyrrole-2-carboxylic acid
CID 114603225
4-chloro-1-(3-chloro-5-fluorophenyl)pyrrole-2-carboxylic acid
CID 107370137
4,5-dichloro-1-(2-ethylphenyl)pyrrole-2-carboxylic acid;hydrochloride
CID 70622243
1-(2-chloro-4-fluorophenyl)-4-iodopyrrole-2-carboxylic acid
CID 114603399
4-bromo-1-(2-chloro-4-iodophenyl)pyrrole-2-carboxylic acid
CID 107607535
4-bromo-1-(2,6-dichlorophenyl)pyrrole-2-carboxylic acid
CID 66854327
1-(2-chlorophenyl)-2-phenylpyrrole-3-carboxylic acid
CID 82362681
4-chloro-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrole-2-carboxylic acid
CID 114603577

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2-chlorophenyl)pyrrole-2-carboxylic acid?
The IUPAC name of 4-chloro-1-(2-chlorophenyl)pyrrole-2-carboxylic acid (CID 114603238) is 4-chloro-1-(2-chlorophenyl)pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-chloro-1-(2-chlorophenyl)pyrrole-2-carboxylic acid?
The canonical SMILES for 4-chloro-1-(2-chlorophenyl)pyrrole-2-carboxylic acid is O=C(O)c1cc(Cl)cn1-c1ccccc1Cl.
What is the InChIKey of 4-chloro-1-(2-chlorophenyl)pyrrole-2-carboxylic acid?
The InChIKey is IYEHQSVEZQENLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2NO2/c12-7-5-10(11(15)16)14(6-7)9-4-2-1-3-8(9)13/h1-6H,(H,15,16).
What are the key properties of 4-chloro-1-(2-chlorophenyl)pyrrole-2-carboxylic acid?
4-chloro-1-(2-chlorophenyl)pyrrole-2-carboxylic acid has a molecular weight of 256.09 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2-chlorophenyl)pyrrole-2-carboxylic acid is sourced from PubChem (CID 114603238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).