3-bromo-7-chloro-1H-indole

C8H5BrClN — CID 2763282

IUPAC3-bromo-7-chloro-1H-indole
SMILESClc1cccc2c(Br)c[nH]c12
InChIInChI=1S/C8H5BrClN/c9-6-4-11-8-5(6)2-1-3-7(8)10/h1-4,11H
InChIKeyUYTCAWQZFCASCT-UHFFFAOYSA-N
MW230.49 g/mol
LogP3.58
Rot. Bonds

About 3-bromo-7-chloro-1H-indole

3-bromo-7-chloro-1H-indole (PubChem CID 2763282) has the molecular formula C8H5BrClN and a molecular weight of 230.49 g/mol. Its IUPAC name is 3-bromo-7-chloro-1H-indole.

Molecular Properties

Compound Name3-bromo-7-chloro-1H-indole
PubChem CID2763282
Molecular FormulaC8H5BrClN
Molecular Weight230.49 g/mol
Exact Mass228.93
IUPAC Name3-bromo-7-chloro-1H-indole
SMILESClc1cccc2c(Br)c[nH]c12
InChIInChI=1S/C8H5BrClN/c9-6-4-11-8-5(6)2-1-3-7(8)10/h1-4,11H
InChIKeyUYTCAWQZFCASCT-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 3-bromo-7-chloro-1H-indole?
The IUPAC name of 3-bromo-7-chloro-1H-indole (CID 2763282) is 3-bromo-7-chloro-1H-indole.
What is the SMILES notation for 3-bromo-7-chloro-1H-indole?
The canonical SMILES for 3-bromo-7-chloro-1H-indole is Clc1cccc2c(Br)c[nH]c12.
What is the InChIKey of 3-bromo-7-chloro-1H-indole?
The InChIKey is UYTCAWQZFCASCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClN/c9-6-4-11-8-5(6)2-1-3-7(8)10/h1-4,11H.
What are the key properties of 3-bromo-7-chloro-1H-indole?
3-bromo-7-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 3-bromo-7-chloro-1H-indole is sourced from PubChem (CID 2763282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).