3-bromo-4,6-dichloro-1H-indole

C8H4BrCl2N — CID 103427958

IUPAC3-bromo-4,6-dichloro-1H-indole
SMILESClc1cc(Cl)c2c(Br)c[nH]c2c1
InChIInChI=1S/C8H4BrCl2N/c9-5-3-12-7-2-4(10)1-6(11)8(5)7/h1-3,12H
InChIKeyBCWIYVQHHHFMAJ-UHFFFAOYSA-N
MW264.94 g/mol
LogP4.24
Rot. Bonds

About 3-bromo-4,6-dichloro-1H-indole

3-bromo-4,6-dichloro-1H-indole (PubChem CID 103427958) has the molecular formula C8H4BrCl2N and a molecular weight of 264.94 g/mol. Its IUPAC name is 3-bromo-4,6-dichloro-1H-indole.

Molecular Properties

Compound Name3-bromo-4,6-dichloro-1H-indole
PubChem CID103427958
Molecular FormulaC8H4BrCl2N
Molecular Weight264.94 g/mol
Exact Mass262.89
IUPAC Name3-bromo-4,6-dichloro-1H-indole
SMILESClc1cc(Cl)c2c(Br)c[nH]c2c1
InChIInChI=1S/C8H4BrCl2N/c9-5-3-12-7-2-4(10)1-6(11)8(5)7/h1-3,12H
InChIKeyBCWIYVQHHHFMAJ-UHFFFAOYSA-N
XLogP4.24
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.94
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

5-Bromoindole
CID 24905
5-Chloroindole
CID 87110
6-Bromoindole
CID 676493
6-Chloroindole
CID 87111
4,6-Dichloro-2-methyl-3-aminoethylindole
CID 1381961
4-Chloroindole
CID 91345
4-Bromoindole
CID 676494
7-Bromoindole
CID 2757020
3-Chloro-1H-indole
CID 177790
3-Bromo-1h-indole
CID 2763277
6-bromo-3-chloro-1H-indole
CID 12269921
2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethan-1-amine
CID 3298744

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4,6-dichloro-1H-indole?
The IUPAC name of 3-bromo-4,6-dichloro-1H-indole (CID 103427958) is 3-bromo-4,6-dichloro-1H-indole.
What is the SMILES notation for 3-bromo-4,6-dichloro-1H-indole?
The canonical SMILES for 3-bromo-4,6-dichloro-1H-indole is Clc1cc(Cl)c2c(Br)c[nH]c2c1.
What is the InChIKey of 3-bromo-4,6-dichloro-1H-indole?
The InChIKey is BCWIYVQHHHFMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrCl2N/c9-5-3-12-7-2-4(10)1-6(11)8(5)7/h1-3,12H.
What are the key properties of 3-bromo-4,6-dichloro-1H-indole?
3-bromo-4,6-dichloro-1H-indole has a molecular weight of 264.94 g/mol, XLogP of 4.24, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4,6-dichloro-1H-indole is sourced from PubChem (CID 103427958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).