2,3-dibromo-7-chloro-1H-indole

C8H4Br2ClN — CID 12706664

IUPAC2,3-dibromo-7-chloro-1H-indole
SMILESClc1cccc2c(Br)c(Br)[nH]c12
InChIInChI=1S/C8H4Br2ClN/c9-6-4-2-1-3-5(11)7(4)12-8(6)10/h1-3,12H
InChIKeyLSZCYJIPLCILOO-UHFFFAOYSA-N
MW309.39 g/mol
LogP4.35
Rot. Bonds

About 2,3-dibromo-7-chloro-1H-indole

2,3-dibromo-7-chloro-1H-indole (PubChem CID 12706664) has the molecular formula C8H4Br2ClN and a molecular weight of 309.39 g/mol. Its IUPAC name is 2,3-dibromo-7-chloro-1H-indole.

Molecular Properties

Compound Name2,3-dibromo-7-chloro-1H-indole
PubChem CID12706664
Molecular FormulaC8H4Br2ClN
Molecular Weight309.39 g/mol
Exact Mass306.84
IUPAC Name2,3-dibromo-7-chloro-1H-indole
SMILESClc1cccc2c(Br)c(Br)[nH]c12
InChIInChI=1S/C8H4Br2ClN/c9-6-4-2-1-3-5(11)7(4)12-8(6)10/h1-3,12H
InChIKeyLSZCYJIPLCILOO-UHFFFAOYSA-N
XLogP4.35
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-7-chloro-1H-indole?
The IUPAC name of 2,3-dibromo-7-chloro-1H-indole (CID 12706664) is 2,3-dibromo-7-chloro-1H-indole.
What is the SMILES notation for 2,3-dibromo-7-chloro-1H-indole?
The canonical SMILES for 2,3-dibromo-7-chloro-1H-indole is Clc1cccc2c(Br)c(Br)[nH]c12.
What is the InChIKey of 2,3-dibromo-7-chloro-1H-indole?
The InChIKey is LSZCYJIPLCILOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Br2ClN/c9-6-4-2-1-3-5(11)7(4)12-8(6)10/h1-3,12H.
What are the key properties of 2,3-dibromo-7-chloro-1H-indole?
2,3-dibromo-7-chloro-1H-indole has a molecular weight of 309.39 g/mol, XLogP of 4.35, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-7-chloro-1H-indole is sourced from PubChem (CID 12706664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).