4-bromo-7-fluoro-1H-indole-2,3-dione

C8H3BrFNO2 — CID 43555512

IUPAC4-bromo-7-fluoro-1H-indole-2,3-dione
SMILESO=C1Nc2c(F)ccc(Br)c2C1=O
InChIInChI=1S/C8H3BrFNO2/c9-3-1-2-4(10)6-5(3)7(12)8(13)11-6/h1-2H,(H,11,12,13)
InChIKeyGEILBCZHJGIPBQ-UHFFFAOYSA-N
MW244.02 g/mol
LogP1.72
Rot. Bonds

About 4-bromo-7-fluoro-1H-indole-2,3-dione

4-bromo-7-fluoro-1H-indole-2,3-dione (PubChem CID 43555512) has the molecular formula C8H3BrFNO2 and a molecular weight of 244.02 g/mol. Its IUPAC name is 4-bromo-7-fluoro-1H-indole-2,3-dione.

Molecular Properties

Compound Name4-bromo-7-fluoro-1H-indole-2,3-dione
PubChem CID43555512
Molecular FormulaC8H3BrFNO2
Molecular Weight244.02 g/mol
Exact Mass242.93
IUPAC Name4-bromo-7-fluoro-1H-indole-2,3-dione
SMILESO=C1Nc2c(F)ccc(Br)c2C1=O
InChIInChI=1S/C8H3BrFNO2/c9-3-1-2-4(10)6-5(3)7(12)8(13)11-6/h1-2H,(H,11,12,13)
InChIKeyGEILBCZHJGIPBQ-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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Related Compounds

4-bromo-7-fluoro-6-methyl-1H-indole-2,3-dione
CID 177167612
4-bromo-3,3,7-trifluoro-1H-indol-2-one
CID 121361952
(3E)-4-bromo-7-fluoro-3-[[5-(2-fluorophenyl)thiophen-2-yl]methylidene]-1H-indol-2-one
CID 154877312
4,6,7-trifluoro-1H-indole-2,3-dione
CID 62811095
4-bromo-7-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one
CID 130049276
4-chloro-6,7-difluoro-1H-indole-2,3-dione
CID 164645941
6-fluoro-7-methoxy-1H-indole-2,3-dione
CID 22274397
8-bromo-5-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 130051331
6-fluoro-7-(trifluoromethyl)-1H-indole-2,3-dione
CID 172554042
9-bromo-4,7-difluoro-5H-benzo[b][1,4]benzoxazepin-6-one
CID 68759173
5-bromo-4-methoxy-1H-indole-2,3-dione
CID 14595060
6-bromo-5-fluoro-1H-indole-2,3-dione
CID 67517039

Frequently Asked Questions

What is the IUPAC name of 4-bromo-7-fluoro-1H-indole-2,3-dione?
The IUPAC name of 4-bromo-7-fluoro-1H-indole-2,3-dione (CID 43555512) is 4-bromo-7-fluoro-1H-indole-2,3-dione.
What is the SMILES notation for 4-bromo-7-fluoro-1H-indole-2,3-dione?
The canonical SMILES for 4-bromo-7-fluoro-1H-indole-2,3-dione is O=C1Nc2c(F)ccc(Br)c2C1=O.
What is the InChIKey of 4-bromo-7-fluoro-1H-indole-2,3-dione?
The InChIKey is GEILBCZHJGIPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrFNO2/c9-3-1-2-4(10)6-5(3)7(12)8(13)11-6/h1-2H,(H,11,12,13).
What are the key properties of 4-bromo-7-fluoro-1H-indole-2,3-dione?
4-bromo-7-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 4-bromo-7-fluoro-1H-indole-2,3-dione is sourced from PubChem (CID 43555512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).