5-bromo-1H-indole

C8H6BrN — CID 24905

IUPAC5-bromo-1H-indole
SMILESBrc1ccc2[nH]ccc2c1
InChIInChI=1S/C8H6BrN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H
InChIKeyVXWVFZFZYXOBTA-UHFFFAOYSA-N
MW196.05 g/mol
LogP2.93
Rot. Bonds

About 5-bromo-1H-indole

5-bromo-1H-indole (PubChem CID 24905) has the molecular formula C8H6BrN and a molecular weight of 196.05 g/mol. Its IUPAC name is 5-bromo-1H-indole.

Molecular Properties

Compound Name5-bromo-1H-indole
PubChem CID24905
Molecular FormulaC8H6BrN
Molecular Weight196.05 g/mol
Exact Mass194.97
IUPAC Name5-bromo-1H-indole
SMILESBrc1ccc2[nH]ccc2c1
InChIInChI=1S/C8H6BrN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H
InChIKeyVXWVFZFZYXOBTA-UHFFFAOYSA-N
XLogP2.93
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.05
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1H-indole?
The IUPAC name of 5-bromo-1H-indole (CID 24905) is 5-bromo-1H-indole.
What is the SMILES notation for 5-bromo-1H-indole?
The canonical SMILES for 5-bromo-1H-indole is Brc1ccc2[nH]ccc2c1.
What is the InChIKey of 5-bromo-1H-indole?
The InChIKey is VXWVFZFZYXOBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H.
What are the key properties of 5-bromo-1H-indole?
5-bromo-1H-indole has a molecular weight of 196.05 g/mol, XLogP of 2.93, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1H-indole is sourced from PubChem (CID 24905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).