4-bromo-1-(2-bromo-5-chlorophenyl)pyrrole-2-carboxylic acid

C11H6Br2ClNO2 — CID 114606205

IUPAC4-bromo-1-(2-bromo-5-chlorophenyl)pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(Br)cn1-c1cc(Cl)ccc1Br
InChIInChI=1S/C11H6Br2ClNO2/c12-6-3-10(11(16)17)15(5-6)9-4-7(14)1-2-8(9)13/h1-5H,(H,16,17)
InChIKeyRCKIQXIDTKIKCO-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.35
Rot. Bonds2

About 4-bromo-1-(2-bromo-5-chlorophenyl)pyrrole-2-carboxylic acid

4-bromo-1-(2-bromo-5-chlorophenyl)pyrrole-2-carboxylic acid (PubChem CID 114606205) has the molecular formula C11H6Br2ClNO2 and a molecular weight of 379.44 g/mol. Its IUPAC name is 4-bromo-1-(2-bromo-5-chlorophenyl)pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-bromo-1-(2-bromo-5-chlorophenyl)pyrrole-2-carboxylic acid
PubChem CID114606205
Molecular FormulaC11H6Br2ClNO2
Molecular Weight379.44 g/mol
Exact Mass376.85
IUPAC Name4-bromo-1-(2-bromo-5-chlorophenyl)pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(Br)cn1-c1cc(Cl)ccc1Br
InChIInChI=1S/C11H6Br2ClNO2/c12-6-3-10(11(16)17)15(5-6)9-4-7(14)1-2-8(9)13/h1-5H,(H,16,17)
InChIKeyRCKIQXIDTKIKCO-UHFFFAOYSA-N
XLogP4.35
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-bromo-1-(2-bromo-5-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

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(2-bromo-5-chlorophenyl)pyrrole-2-carboxylic acid?
The IUPAC name of 4-bromo-1-(2-bromo-5-chlorophenyl)pyrrole-2-carboxylic acid (CID 114606205) is 4-bromo-1-(2-bromo-5-chlorophenyl)pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-bromo-1-(2-bromo-5-chlorophenyl)pyrrole-2-carboxylic acid?
The canonical SMILES for 4-bromo-1-(2-bromo-5-chlorophenyl)pyrrole-2-carboxylic acid is O=C(O)c1cc(Br)cn1-c1cc(Cl)ccc1Br.
What is the InChIKey of 4-bromo-1-(2-bromo-5-chlorophenyl)pyrrole-2-carboxylic acid?
The InChIKey is RCKIQXIDTKIKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Br2ClNO2/c12-6-3-10(11(16)17)15(5-6)9-4-7(14)1-2-8(9)13/h1-5H,(H,16,17).
What are the key properties of 4-bromo-1-(2-bromo-5-chlorophenyl)pyrrole-2-carboxylic acid?
4-bromo-1-(2-bromo-5-chlorophenyl)pyrrole-2-carboxylic acid has a molecular weight of 379.44 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(2-bromo-5-chlorophenyl)pyrrole-2-carboxylic acid is sourced from PubChem (CID 114606205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).