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

C8H4BrClFN — CID 84706657

IUPAC3-bromo-5-chloro-6-fluoro-1H-indole
SMILESFc1cc2[nH]cc(Br)c2cc1Cl
InChIInChI=1S/C8H4BrClFN/c9-5-3-12-8-2-7(11)6(10)1-4(5)8/h1-3,12H
InChIKeyYVAPHZIIXGSXAN-UHFFFAOYSA-N
MW248.48 g/mol
LogP3.72
Rot. Bonds

About 3-bromo-5-chloro-6-fluoro-1H-indole

3-bromo-5-chloro-6-fluoro-1H-indole (PubChem CID 84706657) has the molecular formula C8H4BrClFN and a molecular weight of 248.48 g/mol. Its IUPAC name is 3-bromo-5-chloro-6-fluoro-1H-indole.

Molecular Properties

Compound Name3-bromo-5-chloro-6-fluoro-1H-indole
PubChem CID84706657
Molecular FormulaC8H4BrClFN
Molecular Weight248.48 g/mol
Exact Mass246.92
IUPAC Name3-bromo-5-chloro-6-fluoro-1H-indole
SMILESFc1cc2[nH]cc(Br)c2cc1Cl
InChIInChI=1S/C8H4BrClFN/c9-5-3-12-8-2-7(11)6(10)1-4(5)8/h1-3,12H
InChIKeyYVAPHZIIXGSXAN-UHFFFAOYSA-N
XLogP3.72
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.48
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-6-fluoro-1H-indole?
The IUPAC name of 3-bromo-5-chloro-6-fluoro-1H-indole (CID 84706657) is 3-bromo-5-chloro-6-fluoro-1H-indole.
What is the SMILES notation for 3-bromo-5-chloro-6-fluoro-1H-indole?
The canonical SMILES for 3-bromo-5-chloro-6-fluoro-1H-indole is Fc1cc2[nH]cc(Br)c2cc1Cl.
What is the InChIKey of 3-bromo-5-chloro-6-fluoro-1H-indole?
The InChIKey is YVAPHZIIXGSXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClFN/c9-5-3-12-8-2-7(11)6(10)1-4(5)8/h1-3,12H.
What are the key properties of 3-bromo-5-chloro-6-fluoro-1H-indole?
3-bromo-5-chloro-6-fluoro-1H-indole has a molecular weight of 248.48 g/mol, XLogP of 3.72, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-6-fluoro-1H-indole is sourced from PubChem (CID 84706657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).