5-bromo-6-fluoro-1H-indole

C8H5BrFN — CID 11687145

IUPAC5-bromo-6-fluoro-1H-indole
SMILESFc1cc2[nH]ccc2cc1Br
InChIInChI=1S/C8H5BrFN/c9-6-3-5-1-2-11-8(5)4-7(6)10/h1-4,11H
InChIKeyHAKIMTKXOCVWRH-UHFFFAOYSA-N
MW214.04 g/mol
LogP3.07
Rot. Bonds

About 5-bromo-6-fluoro-1H-indole

5-bromo-6-fluoro-1H-indole (PubChem CID 11687145) has the molecular formula C8H5BrFN and a molecular weight of 214.04 g/mol. Its IUPAC name is 5-bromo-6-fluoro-1H-indole.

Molecular Properties

Compound Name5-bromo-6-fluoro-1H-indole
PubChem CID11687145
Molecular FormulaC8H5BrFN
Molecular Weight214.04 g/mol
Exact Mass212.96
IUPAC Name5-bromo-6-fluoro-1H-indole
SMILESFc1cc2[nH]ccc2cc1Br
InChIInChI=1S/C8H5BrFN/c9-6-3-5-1-2-11-8(5)4-7(6)10/h1-4,11H
InChIKeyHAKIMTKXOCVWRH-UHFFFAOYSA-N
XLogP3.07
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.04
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-fluoro-1H-indole?
The IUPAC name of 5-bromo-6-fluoro-1H-indole (CID 11687145) is 5-bromo-6-fluoro-1H-indole.
What is the SMILES notation for 5-bromo-6-fluoro-1H-indole?
The canonical SMILES for 5-bromo-6-fluoro-1H-indole is Fc1cc2[nH]ccc2cc1Br.
What is the InChIKey of 5-bromo-6-fluoro-1H-indole?
The InChIKey is HAKIMTKXOCVWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrFN/c9-6-3-5-1-2-11-8(5)4-7(6)10/h1-4,11H.
What are the key properties of 5-bromo-6-fluoro-1H-indole?
5-bromo-6-fluoro-1H-indole has a molecular weight of 214.04 g/mol, XLogP of 3.07, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-fluoro-1H-indole is sourced from PubChem (CID 11687145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).