5-bromo-3-(4-chlorophenyl)-1H-indole

C14H9BrClN — CID 132595154

IUPAC5-bromo-3-(4-chlorophenyl)-1H-indole
SMILESClc1ccc(-c2c[nH]c3ccc(Br)cc23)cc1
InChIInChI=1S/C14H9BrClN/c15-10-3-6-14-12(7-10)13(8-17-14)9-1-4-11(16)5-2-9/h1-8,17H
InChIKeyAOVYQSUBPLEZRO-UHFFFAOYSA-N
MW306.59 g/mol
LogP5.25
Rot. Bonds1

About 5-bromo-3-(4-chlorophenyl)-1H-indole

5-bromo-3-(4-chlorophenyl)-1H-indole (PubChem CID 132595154) has the molecular formula C14H9BrClN and a molecular weight of 306.59 g/mol. Its IUPAC name is 5-bromo-3-(4-chlorophenyl)-1H-indole.

Molecular Properties

Compound Name5-bromo-3-(4-chlorophenyl)-1H-indole
PubChem CID132595154
Molecular FormulaC14H9BrClN
Molecular Weight306.59 g/mol
Exact Mass304.96
IUPAC Name5-bromo-3-(4-chlorophenyl)-1H-indole
SMILESClc1ccc(-c2c[nH]c3ccc(Br)cc23)cc1
InChIInChI=1S/C14H9BrClN/c15-10-3-6-14-12(7-10)13(8-17-14)9-1-4-11(16)5-2-9/h1-8,17H
InChIKeyAOVYQSUBPLEZRO-UHFFFAOYSA-N
XLogP5.25
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.59
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze 5-bromo-3-(4-chlorophenyl)-1H-indole 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 5-bromo-3-(4-chlorophenyl)-1H-indole?
The IUPAC name of 5-bromo-3-(4-chlorophenyl)-1H-indole (CID 132595154) is 5-bromo-3-(4-chlorophenyl)-1H-indole.
What is the SMILES notation for 5-bromo-3-(4-chlorophenyl)-1H-indole?
The canonical SMILES for 5-bromo-3-(4-chlorophenyl)-1H-indole is Clc1ccc(-c2c[nH]c3ccc(Br)cc23)cc1.
What is the InChIKey of 5-bromo-3-(4-chlorophenyl)-1H-indole?
The InChIKey is AOVYQSUBPLEZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClN/c15-10-3-6-14-12(7-10)13(8-17-14)9-1-4-11(16)5-2-9/h1-8,17H.
What are the key properties of 5-bromo-3-(4-chlorophenyl)-1H-indole?
5-bromo-3-(4-chlorophenyl)-1H-indole has a molecular weight of 306.59 g/mol, XLogP of 5.25, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(4-chlorophenyl)-1H-indole is sourced from PubChem (CID 132595154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).