4-bromo-6-chloro-2H-indole

C8H5BrClN — CID 172784933

IUPAC4-bromo-6-chloro-2H-indole
SMILESClc1cc(Br)c2c(c1)=NCC=2
InChIInChI=1S/C8H5BrClN/c9-7-3-5(10)4-8-6(7)1-2-11-8/h1,3-4H,2H2
InChIKeyOTNNZKZTBSYUCS-UHFFFAOYSA-N
MW230.49 g/mol
LogP1.52
Rot. Bonds

About 4-bromo-6-chloro-2H-indole

4-bromo-6-chloro-2H-indole (PubChem CID 172784933) has the molecular formula C8H5BrClN and a molecular weight of 230.49 g/mol. Its IUPAC name is 4-bromo-6-chloro-2H-indole.

Molecular Properties

Compound Name4-bromo-6-chloro-2H-indole
PubChem CID172784933
Molecular FormulaC8H5BrClN
Molecular Weight230.49 g/mol
Exact Mass228.93
IUPAC Name4-bromo-6-chloro-2H-indole
SMILESClc1cc(Br)c2c(c1)=NCC=2
InChIInChI=1S/C8H5BrClN/c9-7-3-5(10)4-8-6(7)1-2-11-8/h1,3-4H,2H2
InChIKeyOTNNZKZTBSYUCS-UHFFFAOYSA-N
XLogP1.52
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.49
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-chloro-2H-indole?
The IUPAC name of 4-bromo-6-chloro-2H-indole (CID 172784933) is 4-bromo-6-chloro-2H-indole.
What is the SMILES notation for 4-bromo-6-chloro-2H-indole?
The canonical SMILES for 4-bromo-6-chloro-2H-indole is Clc1cc(Br)c2c(c1)=NCC=2.
What is the InChIKey of 4-bromo-6-chloro-2H-indole?
The InChIKey is OTNNZKZTBSYUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClN/c9-7-3-5(10)4-8-6(7)1-2-11-8/h1,3-4H,2H2.
What are the key properties of 4-bromo-6-chloro-2H-indole?
4-bromo-6-chloro-2H-indole has a molecular weight of 230.49 g/mol, XLogP of 1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-chloro-2H-indole is sourced from PubChem (CID 172784933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).