4-bromo-2-(2-chlorophenyl)-1H-indole

C14H9BrClN — CID 59689098

IUPAC4-bromo-2-(2-chlorophenyl)-1H-indole
SMILESClc1ccccc1-c1cc2c(Br)cccc2[nH]1
InChIInChI=1S/C14H9BrClN/c15-11-5-3-7-13-10(11)8-14(17-13)9-4-1-2-6-12(9)16/h1-8,17H
InChIKeyJZEYNLJBVKFHES-UHFFFAOYSA-N
MW306.59 g/mol
LogP5.25
Rot. Bonds1

About 4-bromo-2-(2-chlorophenyl)-1H-indole

4-bromo-2-(2-chlorophenyl)-1H-indole (PubChem CID 59689098) has the molecular formula C14H9BrClN and a molecular weight of 306.59 g/mol. Its IUPAC name is 4-bromo-2-(2-chlorophenyl)-1H-indole.

Molecular Properties

Compound Name4-bromo-2-(2-chlorophenyl)-1H-indole
PubChem CID59689098
Molecular FormulaC14H9BrClN
Molecular Weight306.59 g/mol
Exact Mass304.96
IUPAC Name4-bromo-2-(2-chlorophenyl)-1H-indole
SMILESClc1ccccc1-c1cc2c(Br)cccc2[nH]1
InChIInChI=1S/C14H9BrClN/c15-11-5-3-7-13-10(11)8-14(17-13)9-4-1-2-6-12(9)16/h1-8,17H
InChIKeyJZEYNLJBVKFHES-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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2-chlorophenyl)-1H-indole?
The IUPAC name of 4-bromo-2-(2-chlorophenyl)-1H-indole (CID 59689098) is 4-bromo-2-(2-chlorophenyl)-1H-indole.
What is the SMILES notation for 4-bromo-2-(2-chlorophenyl)-1H-indole?
The canonical SMILES for 4-bromo-2-(2-chlorophenyl)-1H-indole is Clc1ccccc1-c1cc2c(Br)cccc2[nH]1.
What is the InChIKey of 4-bromo-2-(2-chlorophenyl)-1H-indole?
The InChIKey is JZEYNLJBVKFHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClN/c15-11-5-3-7-13-10(11)8-14(17-13)9-4-1-2-6-12(9)16/h1-8,17H.
What are the key properties of 4-bromo-2-(2-chlorophenyl)-1H-indole?
4-bromo-2-(2-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 4-bromo-2-(2-chlorophenyl)-1H-indole is sourced from PubChem (CID 59689098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).