2-iodobenzo[f]isoindole-1,3-dione

C12H6INO2 — CID 71490809

IUPAC2-iodobenzo[f]isoindole-1,3-dione
SMILESO=C1c2cc3ccccc3cc2C(=O)N1I
InChIInChI=1S/C12H6INO2/c13-14-11(15)9-5-7-3-1-2-4-8(7)6-10(9)12(14)16/h1-6H
InChIKeyBIYZJJFUBFERPD-UHFFFAOYSA-N
MW323.09 g/mol
LogP2.79
Rot. Bonds

About 2-iodobenzo[f]isoindole-1,3-dione

2-iodobenzo[f]isoindole-1,3-dione (PubChem CID 71490809) has the molecular formula C12H6INO2 and a molecular weight of 323.09 g/mol. Its IUPAC name is 2-iodobenzo[f]isoindole-1,3-dione.

Molecular Properties

Compound Name2-iodobenzo[f]isoindole-1,3-dione
PubChem CID71490809
Molecular FormulaC12H6INO2
Molecular Weight323.09 g/mol
Exact Mass322.94
IUPAC Name2-iodobenzo[f]isoindole-1,3-dione
SMILESO=C1c2cc3ccccc3cc2C(=O)N1I
InChIInChI=1S/C12H6INO2/c13-14-11(15)9-5-7-3-1-2-4-8(7)6-10(9)12(14)16/h1-6H
InChIKeyBIYZJJFUBFERPD-UHFFFAOYSA-N
XLogP2.79
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.09
LogP ≤ 52.79
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-iodobenzo[f]isoindole-1,3-dione?
The IUPAC name of 2-iodobenzo[f]isoindole-1,3-dione (CID 71490809) is 2-iodobenzo[f]isoindole-1,3-dione.
What is the SMILES notation for 2-iodobenzo[f]isoindole-1,3-dione?
The canonical SMILES for 2-iodobenzo[f]isoindole-1,3-dione is O=C1c2cc3ccccc3cc2C(=O)N1I.
What is the InChIKey of 2-iodobenzo[f]isoindole-1,3-dione?
The InChIKey is BIYZJJFUBFERPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6INO2/c13-14-11(15)9-5-7-3-1-2-4-8(7)6-10(9)12(14)16/h1-6H.
What are the key properties of 2-iodobenzo[f]isoindole-1,3-dione?
2-iodobenzo[f]isoindole-1,3-dione has a molecular weight of 323.09 g/mol, XLogP of 2.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodobenzo[f]isoindole-1,3-dione is sourced from PubChem (CID 71490809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).