1-(2-bromo-5-chlorophenyl)-2,5-dimethylpyrrole

C12H11BrClN — CID 81275683

IUPAC1-(2-bromo-5-chlorophenyl)-2,5-dimethylpyrrole
SMILESCc1ccc(C)n1-c1cc(Cl)ccc1Br
InChIInChI=1S/C12H11BrClN/c1-8-3-4-9(2)15(8)12-7-10(14)5-6-11(12)13/h3-7H,1-2H3
InChIKeyRMLDYLFJHWHPHI-UHFFFAOYSA-N
MW284.58 g/mol
LogP4.51
Rot. Bonds1

About 1-(2-bromo-5-chlorophenyl)-2,5-dimethylpyrrole

1-(2-bromo-5-chlorophenyl)-2,5-dimethylpyrrole (PubChem CID 81275683) has the molecular formula C12H11BrClN and a molecular weight of 284.58 g/mol. Its IUPAC name is 1-(2-bromo-5-chlorophenyl)-2,5-dimethylpyrrole.

Molecular Properties

Compound Name1-(2-bromo-5-chlorophenyl)-2,5-dimethylpyrrole
PubChem CID81275683
Molecular FormulaC12H11BrClN
Molecular Weight284.58 g/mol
Exact Mass282.98
IUPAC Name1-(2-bromo-5-chlorophenyl)-2,5-dimethylpyrrole
SMILESCc1ccc(C)n1-c1cc(Cl)ccc1Br
InChIInChI=1S/C12H11BrClN/c1-8-3-4-9(2)15(8)12-7-10(14)5-6-11(12)13/h3-7H,1-2H3
InChIKeyRMLDYLFJHWHPHI-UHFFFAOYSA-N
XLogP4.51
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.58
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

Analyze 1-(2-bromo-5-chlorophenyl)-2,5-dimethylpyrrole 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 1-(2-bromo-5-chlorophenyl)-2,5-dimethylpyrrole?
The IUPAC name of 1-(2-bromo-5-chlorophenyl)-2,5-dimethylpyrrole (CID 81275683) is 1-(2-bromo-5-chlorophenyl)-2,5-dimethylpyrrole.
What is the SMILES notation for 1-(2-bromo-5-chlorophenyl)-2,5-dimethylpyrrole?
The canonical SMILES for 1-(2-bromo-5-chlorophenyl)-2,5-dimethylpyrrole is Cc1ccc(C)n1-c1cc(Cl)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-chlorophenyl)-2,5-dimethylpyrrole?
The InChIKey is RMLDYLFJHWHPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN/c1-8-3-4-9(2)15(8)12-7-10(14)5-6-11(12)13/h3-7H,1-2H3.
What are the key properties of 1-(2-bromo-5-chlorophenyl)-2,5-dimethylpyrrole?
1-(2-bromo-5-chlorophenyl)-2,5-dimethylpyrrole has a molecular weight of 284.58 g/mol, XLogP of 4.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-chlorophenyl)-2,5-dimethylpyrrole is sourced from PubChem (CID 81275683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).