6-bromo-5-fluoroindol-2-one

C8H3BrFNO — CID 156640203

IUPAC6-bromo-5-fluoroindol-2-one
SMILESO=C1C=c2cc(F)c(Br)cc2=N1
InChIInChI=1S/C8H3BrFNO/c9-5-3-7-4(1-6(5)10)2-8(12)11-7/h1-3H
InChIKeyIEXHLZIRYNDSHZ-UHFFFAOYSA-N
MW228.02 g/mol
LogP0.53
Rot. Bonds

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

6-bromo-5-fluoroindol-2-one (PubChem CID 156640203) has the molecular formula C8H3BrFNO and a molecular weight of 228.02 g/mol. Its IUPAC name is 6-bromo-5-fluoroindol-2-one.

Molecular Properties

Compound Name6-bromo-5-fluoroindol-2-one
PubChem CID156640203
Molecular FormulaC8H3BrFNO
Molecular Weight228.02 g/mol
Exact Mass226.94
IUPAC Name6-bromo-5-fluoroindol-2-one
SMILESO=C1C=c2cc(F)c(Br)cc2=N1
InChIInChI=1S/C8H3BrFNO/c9-5-3-7-4(1-6(5)10)2-8(12)11-7/h1-3H
InChIKeyIEXHLZIRYNDSHZ-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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Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-fluoroindol-2-one?
The IUPAC name of 6-bromo-5-fluoroindol-2-one (CID 156640203) is 6-bromo-5-fluoroindol-2-one.
What is the SMILES notation for 6-bromo-5-fluoroindol-2-one?
The canonical SMILES for 6-bromo-5-fluoroindol-2-one is O=C1C=c2cc(F)c(Br)cc2=N1.
What is the InChIKey of 6-bromo-5-fluoroindol-2-one?
The InChIKey is IEXHLZIRYNDSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrFNO/c9-5-3-7-4(1-6(5)10)2-8(12)11-7/h1-3H.
What are the key properties of 6-bromo-5-fluoroindol-2-one?
6-bromo-5-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 6-bromo-5-fluoroindol-2-one is sourced from PubChem (CID 156640203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).