4-bromo-2-chloro-1H-indole

C8H5BrClN — CID 19700309

IUPAC4-bromo-2-chloro-1H-indole
SMILESClc1cc2c(Br)cccc2[nH]1
InChIInChI=1S/C8H5BrClN/c9-6-2-1-3-7-5(6)4-8(10)11-7/h1-4,11H
InChIKeyBKRXWVJGWFDPOO-UHFFFAOYSA-N
MW230.49 g/mol
LogP3.58
Rot. Bonds

About 4-bromo-2-chloro-1H-indole

4-bromo-2-chloro-1H-indole (PubChem CID 19700309) has the molecular formula C8H5BrClN and a molecular weight of 230.49 g/mol. Its IUPAC name is 4-bromo-2-chloro-1H-indole.

Molecular Properties

Compound Name4-bromo-2-chloro-1H-indole
PubChem CID19700309
Molecular FormulaC8H5BrClN
Molecular Weight230.49 g/mol
Exact Mass228.93
IUPAC Name4-bromo-2-chloro-1H-indole
SMILESClc1cc2c(Br)cccc2[nH]1
InChIInChI=1S/C8H5BrClN/c9-6-2-1-3-7-5(6)4-8(10)11-7/h1-4,11H
InChIKeyBKRXWVJGWFDPOO-UHFFFAOYSA-N
XLogP3.58
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.49
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-1H-indole?
The IUPAC name of 4-bromo-2-chloro-1H-indole (CID 19700309) is 4-bromo-2-chloro-1H-indole.
What is the SMILES notation for 4-bromo-2-chloro-1H-indole?
The canonical SMILES for 4-bromo-2-chloro-1H-indole is Clc1cc2c(Br)cccc2[nH]1.
What is the InChIKey of 4-bromo-2-chloro-1H-indole?
The InChIKey is BKRXWVJGWFDPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClN/c9-6-2-1-3-7-5(6)4-8(10)11-7/h1-4,11H.
What are the key properties of 4-bromo-2-chloro-1H-indole?
4-bromo-2-chloro-1H-indole has a molecular weight of 230.49 g/mol, XLogP of 3.58, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-1H-indole is sourced from PubChem (CID 19700309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).