2-bromoiodanuidylisoindole-1,3-dione

C8H4BrINO2- — CID 153244170

IUPAC2-bromoiodanuidylisoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1[I-]Br
InChIInChI=1S/C8H4BrINO2/c9-10-11-7(12)5-3-1-2-4-6(5)8(11)13/h1-4H/q-1
InChIKeySBEJIOSLVHDDDY-UHFFFAOYSA-N
MW352.93 g/mol
LogP-1.40
Rot. Bonds1

About 2-bromoiodanuidylisoindole-1,3-dione

2-bromoiodanuidylisoindole-1,3-dione (PubChem CID 153244170) has the molecular formula C8H4BrINO2- and a molecular weight of 352.93 g/mol. Its IUPAC name is 2-bromoiodanuidylisoindole-1,3-dione.

Molecular Properties

Compound Name2-bromoiodanuidylisoindole-1,3-dione
PubChem CID153244170
Molecular FormulaC8H4BrINO2-
Molecular Weight352.93 g/mol
Exact Mass351.85
IUPAC Name2-bromoiodanuidylisoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1[I-]Br
InChIInChI=1S/C8H4BrINO2/c9-10-11-7(12)5-3-1-2-4-6(5)8(11)13/h1-4H/q-1
InChIKeySBEJIOSLVHDDDY-UHFFFAOYSA-N
XLogP-1.40
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.93
LogP ≤ 5-1.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromoiodanuidylisoindole-1,3-dione?
The IUPAC name of 2-bromoiodanuidylisoindole-1,3-dione (CID 153244170) is 2-bromoiodanuidylisoindole-1,3-dione.
What is the SMILES notation for 2-bromoiodanuidylisoindole-1,3-dione?
The canonical SMILES for 2-bromoiodanuidylisoindole-1,3-dione is O=C1c2ccccc2C(=O)N1[I-]Br.
What is the InChIKey of 2-bromoiodanuidylisoindole-1,3-dione?
The InChIKey is SBEJIOSLVHDDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrINO2/c9-10-11-7(12)5-3-1-2-4-6(5)8(11)13/h1-4H/q-1.
What are the key properties of 2-bromoiodanuidylisoindole-1,3-dione?
2-bromoiodanuidylisoindole-1,3-dione has a molecular weight of 352.93 g/mol, XLogP of -1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromoiodanuidylisoindole-1,3-dione is sourced from PubChem (CID 153244170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).