6-bromo-5-fluoro-1H-indole-2,3-dione

C8H3BrFNO2 — CID 67517039

IUPAC6-bromo-5-fluoro-1H-indole-2,3-dione
SMILESO=C1Nc2cc(Br)c(F)cc2C1=O
InChIInChI=1S/C8H3BrFNO2/c9-4-2-6-3(1-5(4)10)7(12)8(13)11-6/h1-2H,(H,11,12,13)
InChIKeyZWODPNMMHAURNN-UHFFFAOYSA-N
MW244.02 g/mol
LogP1.72
Rot. Bonds

About 6-bromo-5-fluoro-1H-indole-2,3-dione

6-bromo-5-fluoro-1H-indole-2,3-dione (PubChem CID 67517039) has the molecular formula C8H3BrFNO2 and a molecular weight of 244.02 g/mol. Its IUPAC name is 6-bromo-5-fluoro-1H-indole-2,3-dione.

Molecular Properties

Compound Name6-bromo-5-fluoro-1H-indole-2,3-dione
PubChem CID67517039
Molecular FormulaC8H3BrFNO2
Molecular Weight244.02 g/mol
Exact Mass242.93
IUPAC Name6-bromo-5-fluoro-1H-indole-2,3-dione
SMILESO=C1Nc2cc(Br)c(F)cc2C1=O
InChIInChI=1S/C8H3BrFNO2/c9-4-2-6-3(1-5(4)10)7(12)8(13)11-6/h1-2H,(H,11,12,13)
InChIKeyZWODPNMMHAURNN-UHFFFAOYSA-N
XLogP1.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.02
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-fluoro-1H-indole-2,3-dione?
The IUPAC name of 6-bromo-5-fluoro-1H-indole-2,3-dione (CID 67517039) is 6-bromo-5-fluoro-1H-indole-2,3-dione.
What is the SMILES notation for 6-bromo-5-fluoro-1H-indole-2,3-dione?
The canonical SMILES for 6-bromo-5-fluoro-1H-indole-2,3-dione is O=C1Nc2cc(Br)c(F)cc2C1=O.
What is the InChIKey of 6-bromo-5-fluoro-1H-indole-2,3-dione?
The InChIKey is ZWODPNMMHAURNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrFNO2/c9-4-2-6-3(1-5(4)10)7(12)8(13)11-6/h1-2H,(H,11,12,13).
What are the key properties of 6-bromo-5-fluoro-1H-indole-2,3-dione?
6-bromo-5-fluoro-1H-indole-2,3-dione has a molecular weight of 244.02 g/mol, XLogP of 1.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-fluoro-1H-indole-2,3-dione is sourced from PubChem (CID 67517039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).