5-bromo-6-fluoroindol-2-one

C8H3BrFNO — CID 177310623

IUPAC5-bromo-6-fluoroindol-2-one
SMILESO=C1C=c2cc(Br)c(F)cc2=N1
InChIInChI=1S/C8H3BrFNO/c9-5-1-4-2-8(12)11-7(4)3-6(5)10/h1-3H
InChIKeyHWKSAYIULPVOHV-UHFFFAOYSA-N
MW228.02 g/mol
LogP0.53
Rot. Bonds

About 5-bromo-6-fluoroindol-2-one

5-bromo-6-fluoroindol-2-one (PubChem CID 177310623) has the molecular formula C8H3BrFNO and a molecular weight of 228.02 g/mol. Its IUPAC name is 5-bromo-6-fluoroindol-2-one.

Molecular Properties

Compound Name5-bromo-6-fluoroindol-2-one
PubChem CID177310623
Molecular FormulaC8H3BrFNO
Molecular Weight228.02 g/mol
Exact Mass226.94
IUPAC Name5-bromo-6-fluoroindol-2-one
SMILESO=C1C=c2cc(Br)c(F)cc2=N1
InChIInChI=1S/C8H3BrFNO/c9-5-1-4-2-8(12)11-7(4)3-6(5)10/h1-3H
InChIKeyHWKSAYIULPVOHV-UHFFFAOYSA-N
XLogP0.53
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.02
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Indol-2-one
CID 17904787
6-Bromoindole-2-one
CID 22038270
Fluoro-indolone
CID 54356889
5-Bromoindol-2-one
CID 46739842
6-(Fluoromethyl)indol-2-one
CID 20284781
6-Fluoroindol-2-one
CID 45108281
6-(Trifluoromethyl)indol-2-one
CID 46173012
5-Fluoro-2-oxo-indole
CID 46739847
7-Fluoroindol-2-one
CID 46739858
4-Fluoro-2H-indol-2-one
CID 46739859
5-Trifluoromethyloxoindole
CID 46739861
4,6-Difluoroindol-2-one
CID 53249556

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-fluoroindol-2-one?
The IUPAC name of 5-bromo-6-fluoroindol-2-one (CID 177310623) is 5-bromo-6-fluoroindol-2-one.
What is the SMILES notation for 5-bromo-6-fluoroindol-2-one?
The canonical SMILES for 5-bromo-6-fluoroindol-2-one is O=C1C=c2cc(Br)c(F)cc2=N1.
What is the InChIKey of 5-bromo-6-fluoroindol-2-one?
The InChIKey is HWKSAYIULPVOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrFNO/c9-5-1-4-2-8(12)11-7(4)3-6(5)10/h1-3H.
What are the key properties of 5-bromo-6-fluoroindol-2-one?
5-bromo-6-fluoroindol-2-one has a molecular weight of 228.02 g/mol, XLogP of 0.53, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-fluoroindol-2-one is sourced from PubChem (CID 177310623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).