2,3,5-tribromo-1H-indole

C8H4Br3N — CID 11995507

IUPAC2,3,5-tribromo-1H-indole
SMILESBrc1ccc2[nH]c(Br)c(Br)c2c1
InChIInChI=1S/C8H4Br3N/c9-4-1-2-6-5(3-4)7(10)8(11)12-6/h1-3,12H
InChIKeyKUPJVNCDFREPQN-UHFFFAOYSA-N
MW353.84 g/mol
LogP4.46
Rot. Bonds

About 2,3,5-tribromo-1H-indole

2,3,5-tribromo-1H-indole (PubChem CID 11995507) has the molecular formula C8H4Br3N and a molecular weight of 353.84 g/mol. Its IUPAC name is 2,3,5-tribromo-1H-indole.

Molecular Properties

Compound Name2,3,5-tribromo-1H-indole
PubChem CID11995507
Molecular FormulaC8H4Br3N
Molecular Weight353.84 g/mol
Exact Mass350.79
IUPAC Name2,3,5-tribromo-1H-indole
SMILESBrc1ccc2[nH]c(Br)c(Br)c2c1
InChIInChI=1S/C8H4Br3N/c9-4-1-2-6-5(3-4)7(10)8(11)12-6/h1-3,12H
InChIKeyKUPJVNCDFREPQN-UHFFFAOYSA-N
XLogP4.46
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.84
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,3,5-tribromo-1H-indole?
The IUPAC name of 2,3,5-tribromo-1H-indole (CID 11995507) is 2,3,5-tribromo-1H-indole.
What is the SMILES notation for 2,3,5-tribromo-1H-indole?
The canonical SMILES for 2,3,5-tribromo-1H-indole is Brc1ccc2[nH]c(Br)c(Br)c2c1.
What is the InChIKey of 2,3,5-tribromo-1H-indole?
The InChIKey is KUPJVNCDFREPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Br3N/c9-4-1-2-6-5(3-4)7(10)8(11)12-6/h1-3,12H.
What are the key properties of 2,3,5-tribromo-1H-indole?
2,3,5-tribromo-1H-indole has a molecular weight of 353.84 g/mol, XLogP of 4.46, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-tribromo-1H-indole is sourced from PubChem (CID 11995507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).