4,5-dibromo-1-(2-ethylphenyl)pyrrole-2-carboxylic acid;hydrochloride

C13H12Br2ClNO2 — CID 70621581

IUPAC4,5-dibromo-1-(2-ethylphenyl)pyrrole-2-carboxylic acid;hydrochloride
SMILESCCc1ccccc1-n1c(C(=O)O)cc(Br)c1Br.Cl
InChIInChI=1S/C13H11Br2NO2.ClH/c1-2-8-5-3-4-6-10(8)16-11(13(17)18)7-9(14)12(16)15;/h3-7H,2H2,1H3,(H,17,18);1H
InChIKeyGOOSNTJXOUBXFA-UHFFFAOYSA-N
MW409.51 g/mol
LogP4.68
Rot. Bonds3

About 4,5-dibromo-1-(2-ethylphenyl)pyrrole-2-carboxylic acid;hydrochloride

4,5-dibromo-1-(2-ethylphenyl)pyrrole-2-carboxylic acid;hydrochloride (PubChem CID 70621581) has the molecular formula C13H12Br2ClNO2 and a molecular weight of 409.51 g/mol. Its IUPAC name is 4,5-dibromo-1-(2-ethylphenyl)pyrrole-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4,5-dibromo-1-(2-ethylphenyl)pyrrole-2-carboxylic acid;hydrochloride
PubChem CID70621581
Molecular FormulaC13H12Br2ClNO2
Molecular Weight409.51 g/mol
Exact Mass406.89
IUPAC Name4,5-dibromo-1-(2-ethylphenyl)pyrrole-2-carboxylic acid;hydrochloride
SMILESCCc1ccccc1-n1c(C(=O)O)cc(Br)c1Br.Cl
InChIInChI=1S/C13H11Br2NO2.ClH/c1-2-8-5-3-4-6-10(8)16-11(13(17)18)7-9(14)12(16)15;/h3-7H,2H2,1H3,(H,17,18);1H
InChIKeyGOOSNTJXOUBXFA-UHFFFAOYSA-N
XLogP4.68
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,5-dibromo-1-(2-ethylphenyl)pyrrole-2-carboxylic acid;hydrochloride 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

4,5-dichloro-1-(2-ethylphenyl)pyrrole-2-carboxylic acid;hydrochloride
CID 70622243
3-(2-ethylphenyl)-2,5-dimethylimidazole-4-carboxylic acid
CID 82294284
4,5-dibromo-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxylic acid
CID 66854245
carbonic acid;1,2-diethylbenzene
CID 89388803
3-(2-ethylphenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 82770328
4-bromo-5-ethylphthalic acid
CID 91027917
2-(2-ethylphenyl)acetic acid;hydrate;hydrochloride
CID 67720112
1-(3-bromo-2-methylphenyl)-4-hydroxy-6-oxopyridine-2-carboxylic acid
CID 114207598
2-bromo-5-[(2-ethylbenzoyl)amino]benzoic acid
CID 115295759
7-ethyl-1-methylindole-2-carboxylic acid
CID 131582394
2-ethylbenzoic acid;tungsten
CID 23518478
1-(2-ethylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 43154900

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-1-(2-ethylphenyl)pyrrole-2-carboxylic acid;hydrochloride?
The IUPAC name of 4,5-dibromo-1-(2-ethylphenyl)pyrrole-2-carboxylic acid;hydrochloride (CID 70621581) is 4,5-dibromo-1-(2-ethylphenyl)pyrrole-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 4,5-dibromo-1-(2-ethylphenyl)pyrrole-2-carboxylic acid;hydrochloride?
The canonical SMILES for 4,5-dibromo-1-(2-ethylphenyl)pyrrole-2-carboxylic acid;hydrochloride is CCc1ccccc1-n1c(C(=O)O)cc(Br)c1Br.Cl.
What is the InChIKey of 4,5-dibromo-1-(2-ethylphenyl)pyrrole-2-carboxylic acid;hydrochloride?
The InChIKey is GOOSNTJXOUBXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2NO2.ClH/c1-2-8-5-3-4-6-10(8)16-11(13(17)18)7-9(14)12(16)15;/h3-7H,2H2,1H3,(H,17,18);1H.
What are the key properties of 4,5-dibromo-1-(2-ethylphenyl)pyrrole-2-carboxylic acid;hydrochloride?
4,5-dibromo-1-(2-ethylphenyl)pyrrole-2-carboxylic acid;hydrochloride has a molecular weight of 409.51 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-1-(2-ethylphenyl)pyrrole-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 70621581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).