4-bromo-6-iodo-1H-indole-2,3-dione

C8H3BrINO2 — CID 18518602

IUPAC4-bromo-6-iodo-1H-indole-2,3-dione
SMILESO=C1Nc2cc(I)cc(Br)c2C1=O
InChIInChI=1S/C8H3BrINO2/c9-4-1-3(10)2-5-6(4)7(12)8(13)11-5/h1-2H,(H,11,12,13)
InChIKeyUZEVXGGWZYNVRA-UHFFFAOYSA-N
MW351.93 g/mol
LogP2.19
Rot. Bonds

About 4-bromo-6-iodo-1H-indole-2,3-dione

4-bromo-6-iodo-1H-indole-2,3-dione (PubChem CID 18518602) has the molecular formula C8H3BrINO2 and a molecular weight of 351.93 g/mol. Its IUPAC name is 4-bromo-6-iodo-1H-indole-2,3-dione.

Molecular Properties

Compound Name4-bromo-6-iodo-1H-indole-2,3-dione
PubChem CID18518602
Molecular FormulaC8H3BrINO2
Molecular Weight351.93 g/mol
Exact Mass350.84
IUPAC Name4-bromo-6-iodo-1H-indole-2,3-dione
SMILESO=C1Nc2cc(I)cc(Br)c2C1=O
InChIInChI=1S/C8H3BrINO2/c9-4-1-3(10)2-5-6(4)7(12)8(13)11-5/h1-2H,(H,11,12,13)
InChIKeyUZEVXGGWZYNVRA-UHFFFAOYSA-N
XLogP2.19
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.93
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-bromo-6-iodo-1H-indole-2,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-4-methoxy-1H-indole-2,3-dione
CID 14595060
4-bromo-7-fluoro-6-methyl-1H-indole-2,3-dione
CID 177167612
6-bromo-5-fluoro-1H-indole-2,3-dione
CID 67517039
4-bromo-6-iodo-2,3-dihydroisoindol-1-one
CID 131143347
1-(2,6-dibromo-4-iodophenyl)ethanone
CID 171001824
5-bromo-1H-indole-2,3-dione;methane
CID 175094676
4-bromo-7-fluoro-1H-indole-2,3-dione
CID 43555512
CID 25112651
CID 25112651
5-[(3-bromo-2-hydroxy-5-iodophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 50885292
2,3-dioxo-1H-indole-4-sulfonamide
CID 119087461
4-fluoro-5-methyl-1H-indole-2,3-dione
CID 68679007
5-bromo-6-tert-butylsulfanyl-1H-indole-2,3-dione
CID 79336459

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-iodo-1H-indole-2,3-dione?
The IUPAC name of 4-bromo-6-iodo-1H-indole-2,3-dione (CID 18518602) is 4-bromo-6-iodo-1H-indole-2,3-dione.
What is the SMILES notation for 4-bromo-6-iodo-1H-indole-2,3-dione?
The canonical SMILES for 4-bromo-6-iodo-1H-indole-2,3-dione is O=C1Nc2cc(I)cc(Br)c2C1=O.
What is the InChIKey of 4-bromo-6-iodo-1H-indole-2,3-dione?
The InChIKey is UZEVXGGWZYNVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrINO2/c9-4-1-3(10)2-5-6(4)7(12)8(13)11-5/h1-2H,(H,11,12,13).
What are the key properties of 4-bromo-6-iodo-1H-indole-2,3-dione?
4-bromo-6-iodo-1H-indole-2,3-dione has a molecular weight of 351.93 g/mol, XLogP of 2.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-iodo-1H-indole-2,3-dione is sourced from PubChem (CID 18518602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).