6-Bromo-5-fluoroindol-2-one

C₈H₃BrFNO — CID 156640203

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 Name: 6-Bromo-5-fluoroindol-2-one
• PubChem CID: 156640203
• Molecular Formula: C₈H₃BrFNO
• Molecular Weight: 228.02 g/mol
• Exact Mass: 226.94
• IUPAC Name: 6-bromo-5-fluoroindol-2-one
• SMILES: O=C1C=c2cc(F)c(Br)cc2=N1
• InChI: InChI=1S/C8H3BrFNO/c9-5-3-7-4(1-6(5)10)2-8(12)11-7/h1-3H
• InChIKey: IEXHLZIRYNDSHZ-UHFFFAOYSA-N
• XLogP: 0.53
• TPSA: 29.43 Ų
• H-Bond Acceptors: 1
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	228.02
LogP ≤ 5	0.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

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).

Sources

• PubChem CID 156640203 — identifiers, structure, computed properties (public domain)

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