3,4,5-tribromo-1H-pyrrole-2-carboxylic acid

C5H2Br3NO2 — CID 3057454

IUPAC3,4,5-tribromo-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1[nH]c(Br)c(Br)c1Br
InChIInChI=1S/C5H2Br3NO2/c6-1-2(7)4(8)9-3(1)5(10)11/h9H,(H,10,11)
InChIKeyGPADKIKEHFMOHG-UHFFFAOYSA-N
MW347.79 g/mol
LogP3.00
Rot. Bonds1

About 3,4,5-tribromo-1H-pyrrole-2-carboxylic acid

3,4,5-tribromo-1H-pyrrole-2-carboxylic acid (PubChem CID 3057454) has the molecular formula C5H2Br3NO2 and a molecular weight of 347.79 g/mol. Its IUPAC name is 3,4,5-tribromo-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name3,4,5-tribromo-1H-pyrrole-2-carboxylic acid
PubChem CID3057454
Molecular FormulaC5H2Br3NO2
Molecular Weight347.79 g/mol
Exact Mass344.76
IUPAC Name3,4,5-tribromo-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1[nH]c(Br)c(Br)c1Br
InChIInChI=1S/C5H2Br3NO2/c6-1-2(7)4(8)9-3(1)5(10)11/h9H,(H,10,11)
InChIKeyGPADKIKEHFMOHG-UHFFFAOYSA-N
XLogP3.00
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.79
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 3,4,5-tribromo-1H-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 3,4,5-tribromo-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 3,4,5-tribromo-1H-pyrrole-2-carboxylic acid (CID 3057454) is 3,4,5-tribromo-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 3,4,5-tribromo-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 3,4,5-tribromo-1H-pyrrole-2-carboxylic acid is O=C(O)c1[nH]c(Br)c(Br)c1Br.
What is the InChIKey of 3,4,5-tribromo-1H-pyrrole-2-carboxylic acid?
The InChIKey is GPADKIKEHFMOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2Br3NO2/c6-1-2(7)4(8)9-3(1)5(10)11/h9H,(H,10,11).
What are the key properties of 3,4,5-tribromo-1H-pyrrole-2-carboxylic acid?
3,4,5-tribromo-1H-pyrrole-2-carboxylic acid has a molecular weight of 347.79 g/mol, XLogP of 3.00, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-tribromo-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 3057454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).