1-(2,5-dibromophenyl)pyrrole-2-carboxylic acid

C11H7Br2NO2 — CID 61470230

IUPAC1-(2,5-dibromophenyl)pyrrole-2-carboxylic acid
SMILESO=C(O)c1cccn1-c1cc(Br)ccc1Br
InChIInChI=1S/C11H7Br2NO2/c12-7-3-4-8(13)10(6-7)14-5-1-2-9(14)11(15)16/h1-6H,(H,15,16)
InChIKeyVKJIXVHMEGTKQA-UHFFFAOYSA-N
MW344.99 g/mol
LogP3.70
Rot. Bonds2

About 1-(2,5-dibromophenyl)pyrrole-2-carboxylic acid

1-(2,5-dibromophenyl)pyrrole-2-carboxylic acid (PubChem CID 61470230) has the molecular formula C11H7Br2NO2 and a molecular weight of 344.99 g/mol. Its IUPAC name is 1-(2,5-dibromophenyl)pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-(2,5-dibromophenyl)pyrrole-2-carboxylic acid
PubChem CID61470230
Molecular FormulaC11H7Br2NO2
Molecular Weight344.99 g/mol
Exact Mass342.88
IUPAC Name1-(2,5-dibromophenyl)pyrrole-2-carboxylic acid
SMILESO=C(O)c1cccn1-c1cc(Br)ccc1Br
InChIInChI=1S/C11H7Br2NO2/c12-7-3-4-8(13)10(6-7)14-5-1-2-9(14)11(15)16/h1-6H,(H,15,16)
InChIKeyVKJIXVHMEGTKQA-UHFFFAOYSA-N
XLogP3.70
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.99
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,5-dibromophenyl)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

1-(4-bromo-2-methylphenyl)pyrrole-2-carboxylic acid
CID 17390087
4-bromo-1-(2,5-dibromophenyl)pyrrole-2-carboxylic acid
CID 114604278
1-(3-bromophenyl)pyrrole-2-carboxylic acid
CID 43477066
1-(4-bromophenyl)pyrrole-2-carboxylic acid
CID 1491696
1-(4-bromo-3-methoxyphenyl)pyrrole-2-carboxylic acid
CID 82860291
4-bromo-1-(2-bromo-5-chlorophenyl)pyrrole-2-carboxylic acid
CID 114606205
1-[4-amino-2-(trifluoromethyl)phenyl]pyrrole-2-carboxylic acid
CID 69084600
2,4-dibromobenzoic acid
CID 11896
1-[2-(difluoromethoxy)phenyl]pyrrole-2-carboxylic acid
CID 43477022
1-[1-(4-bromophenyl)pyrrol-2-yl]ethanone
CID 11129157
4-bromo-3-pyrrol-1-ylbenzoic acid
CID 107812762
1-(2,5-dibromophenyl)-5-methyltriazole-4-carboxylic acid
CID 54955788

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromophenyl)pyrrole-2-carboxylic acid?
The IUPAC name of 1-(2,5-dibromophenyl)pyrrole-2-carboxylic acid (CID 61470230) is 1-(2,5-dibromophenyl)pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-(2,5-dibromophenyl)pyrrole-2-carboxylic acid?
The canonical SMILES for 1-(2,5-dibromophenyl)pyrrole-2-carboxylic acid is O=C(O)c1cccn1-c1cc(Br)ccc1Br.
What is the InChIKey of 1-(2,5-dibromophenyl)pyrrole-2-carboxylic acid?
The InChIKey is VKJIXVHMEGTKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2NO2/c12-7-3-4-8(13)10(6-7)14-5-1-2-9(14)11(15)16/h1-6H,(H,15,16).
What are the key properties of 1-(2,5-dibromophenyl)pyrrole-2-carboxylic acid?
1-(2,5-dibromophenyl)pyrrole-2-carboxylic acid has a molecular weight of 344.99 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromophenyl)pyrrole-2-carboxylic acid is sourced from PubChem (CID 61470230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).