5-bromo-3-fluoroindol-2-one

C8H3BrFNO — CID 150543417

IUPAC5-bromo-3-fluoroindol-2-one
SMILESO=C1N=c2ccc(Br)cc2=C1F
InChIInChI=1S/C8H3BrFNO/c9-4-1-2-6-5(3-4)7(10)8(12)11-6/h1-3H
InChIKeyIGJDDIXIBSZKKJ-UHFFFAOYSA-N
MW228.02 g/mol
LogP0.69
Rot. Bonds

About 5-bromo-3-fluoroindol-2-one

5-bromo-3-fluoroindol-2-one (PubChem CID 150543417) has the molecular formula C8H3BrFNO and a molecular weight of 228.02 g/mol. Its IUPAC name is 5-bromo-3-fluoroindol-2-one.

Molecular Properties

Compound Name5-bromo-3-fluoroindol-2-one
PubChem CID150543417
Molecular FormulaC8H3BrFNO
Molecular Weight228.02 g/mol
Exact Mass226.94
IUPAC Name5-bromo-3-fluoroindol-2-one
SMILESO=C1N=c2ccc(Br)cc2=C1F
InChIInChI=1S/C8H3BrFNO/c9-4-1-2-6-5(3-4)7(10)8(12)11-6/h1-3H
InChIKeyIGJDDIXIBSZKKJ-UHFFFAOYSA-N
XLogP0.69
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 ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-fluoroindol-2-one?
The IUPAC name of 5-bromo-3-fluoroindol-2-one (CID 150543417) is 5-bromo-3-fluoroindol-2-one.
What is the SMILES notation for 5-bromo-3-fluoroindol-2-one?
The canonical SMILES for 5-bromo-3-fluoroindol-2-one is O=C1N=c2ccc(Br)cc2=C1F.
What is the InChIKey of 5-bromo-3-fluoroindol-2-one?
The InChIKey is IGJDDIXIBSZKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrFNO/c9-4-1-2-6-5(3-4)7(10)8(12)11-6/h1-3H.
What are the key properties of 5-bromo-3-fluoroindol-2-one?
5-bromo-3-fluoroindol-2-one has a molecular weight of 228.02 g/mol, XLogP of 0.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-fluoroindol-2-one is sourced from PubChem (CID 150543417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).