6-(4-iodophenyl)pyrrolo[3,4-b]pyridine-5,7-dione

C13H7IN2O2 — CID 1260104

IUPAC6-(4-iodophenyl)pyrrolo[3,4-b]pyridine-5,7-dione
SMILESO=C1c2cccnc2C(=O)N1c1ccc(I)cc1
InChIInChI=1S/C13H7IN2O2/c14-8-3-5-9(6-4-8)16-12(17)10-2-1-7-15-11(10)13(16)18/h1-7H
InChIKeyMLFOCQWLSGOXCE-UHFFFAOYSA-N
MW350.12 g/mol
LogP2.49
Rot. Bonds1

About 6-(4-iodophenyl)pyrrolo[3,4-b]pyridine-5,7-dione

6-(4-iodophenyl)pyrrolo[3,4-b]pyridine-5,7-dione (PubChem CID 1260104) has the molecular formula C13H7IN2O2 and a molecular weight of 350.12 g/mol. Its IUPAC name is 6-(4-iodophenyl)pyrrolo[3,4-b]pyridine-5,7-dione.

Molecular Properties

Compound Name6-(4-iodophenyl)pyrrolo[3,4-b]pyridine-5,7-dione
PubChem CID1260104
Molecular FormulaC13H7IN2O2
Molecular Weight350.12 g/mol
Exact Mass349.96
IUPAC Name6-(4-iodophenyl)pyrrolo[3,4-b]pyridine-5,7-dione
SMILESO=C1c2cccnc2C(=O)N1c1ccc(I)cc1
InChIInChI=1S/C13H7IN2O2/c14-8-3-5-9(6-4-8)16-12(17)10-2-1-7-15-11(10)13(16)18/h1-7H
InChIKeyMLFOCQWLSGOXCE-UHFFFAOYSA-N
XLogP2.49
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.12
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4-iodophenyl)pyrrolo[3,4-b]pyridine-5,7-dione?
The IUPAC name of 6-(4-iodophenyl)pyrrolo[3,4-b]pyridine-5,7-dione (CID 1260104) is 6-(4-iodophenyl)pyrrolo[3,4-b]pyridine-5,7-dione.
What is the SMILES notation for 6-(4-iodophenyl)pyrrolo[3,4-b]pyridine-5,7-dione?
The canonical SMILES for 6-(4-iodophenyl)pyrrolo[3,4-b]pyridine-5,7-dione is O=C1c2cccnc2C(=O)N1c1ccc(I)cc1.
What is the InChIKey of 6-(4-iodophenyl)pyrrolo[3,4-b]pyridine-5,7-dione?
The InChIKey is MLFOCQWLSGOXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7IN2O2/c14-8-3-5-9(6-4-8)16-12(17)10-2-1-7-15-11(10)13(16)18/h1-7H.
What are the key properties of 6-(4-iodophenyl)pyrrolo[3,4-b]pyridine-5,7-dione?
6-(4-iodophenyl)pyrrolo[3,4-b]pyridine-5,7-dione has a molecular weight of 350.12 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-iodophenyl)pyrrolo[3,4-b]pyridine-5,7-dione is sourced from PubChem (CID 1260104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).