3,4-dibromo-7-chloro-1H-indole

C8H4Br2ClN — CID 178073407

IUPAC3,4-dibromo-7-chloro-1H-indole
SMILESClc1ccc(Br)c2c(Br)c[nH]c12
InChIInChI=1S/C8H4Br2ClN/c9-4-1-2-6(11)8-7(4)5(10)3-12-8/h1-3,12H
InChIKeyRBGQTOQEJUQFJE-UHFFFAOYSA-N
MW309.39 g/mol
LogP4.35
Rot. Bonds

About 3,4-dibromo-7-chloro-1H-indole

3,4-dibromo-7-chloro-1H-indole (PubChem CID 178073407) has the molecular formula C8H4Br2ClN and a molecular weight of 309.39 g/mol. Its IUPAC name is 3,4-dibromo-7-chloro-1H-indole.

Molecular Properties

Compound Name3,4-dibromo-7-chloro-1H-indole
PubChem CID178073407
Molecular FormulaC8H4Br2ClN
Molecular Weight309.39 g/mol
Exact Mass306.84
IUPAC Name3,4-dibromo-7-chloro-1H-indole
SMILESClc1ccc(Br)c2c(Br)c[nH]c12
InChIInChI=1S/C8H4Br2ClN/c9-4-1-2-6(11)8-7(4)5(10)3-12-8/h1-3,12H
InChIKeyRBGQTOQEJUQFJE-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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Related Compounds

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7-bromo-4-chloro-3-methyl-1H-indole
CID 69463982
3-bromo-7-chloro-1H-indole
CID 2763282
1-(7-bromo-4-chloro-1H-indol-3-yl)ethanone
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4,7-dichloro-1H-indole-3-sulfonyl chloride
CID 82374063
7-chloro-3-methyl-1H-indol-4-ol
CID 131972082
3-bromo-4,7-dimethoxy-1H-indole
CID 13285273
(7-chloro-4-methyl-1H-indol-3-yl) thiohypofluorite
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Frequently Asked Questions

What is the IUPAC name of 3,4-dibromo-7-chloro-1H-indole?
The IUPAC name of 3,4-dibromo-7-chloro-1H-indole (CID 178073407) is 3,4-dibromo-7-chloro-1H-indole.
What is the SMILES notation for 3,4-dibromo-7-chloro-1H-indole?
The canonical SMILES for 3,4-dibromo-7-chloro-1H-indole is Clc1ccc(Br)c2c(Br)c[nH]c12.
What is the InChIKey of 3,4-dibromo-7-chloro-1H-indole?
The InChIKey is RBGQTOQEJUQFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Br2ClN/c9-4-1-2-6(11)8-7(4)5(10)3-12-8/h1-3,12H.
What are the key properties of 3,4-dibromo-7-chloro-1H-indole?
3,4-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 3,4-dibromo-7-chloro-1H-indole is sourced from PubChem (CID 178073407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).