6-phenylpyrrolo[3,4-b]pyridine-5,7-dione

C13H8N2O2 — CID 704826

IUPAC6-phenylpyrrolo[3,4-b]pyridine-5,7-dione
SMILESO=C1c2cccnc2C(=O)N1c1ccccc1
InChIInChI=1S/C13H8N2O2/c16-12-10-7-4-8-14-11(10)13(17)15(12)9-5-2-1-3-6-9/h1-8H
InChIKeyVGKYIBIMEHQYDG-UHFFFAOYSA-N
MW224.22 g/mol
LogP1.88
Rot. Bonds1

About 6-phenylpyrrolo[3,4-b]pyridine-5,7-dione

6-phenylpyrrolo[3,4-b]pyridine-5,7-dione (PubChem CID 704826) has the molecular formula C13H8N2O2 and a molecular weight of 224.22 g/mol. Its IUPAC name is 6-phenylpyrrolo[3,4-b]pyridine-5,7-dione.

Molecular Properties

Compound Name6-phenylpyrrolo[3,4-b]pyridine-5,7-dione
PubChem CID704826
Molecular FormulaC13H8N2O2
Molecular Weight224.22 g/mol
Exact Mass224.06
IUPAC Name6-phenylpyrrolo[3,4-b]pyridine-5,7-dione
SMILESO=C1c2cccnc2C(=O)N1c1ccccc1
InChIInChI=1S/C13H8N2O2/c16-12-10-7-4-8-14-11(10)13(17)15(12)9-5-2-1-3-6-9/h1-8H
InChIKeyVGKYIBIMEHQYDG-UHFFFAOYSA-N
XLogP1.88
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-phenylpyrrolo[3,4-b]pyridine-5,7-dione?
The IUPAC name of 6-phenylpyrrolo[3,4-b]pyridine-5,7-dione (CID 704826) is 6-phenylpyrrolo[3,4-b]pyridine-5,7-dione.
What is the SMILES notation for 6-phenylpyrrolo[3,4-b]pyridine-5,7-dione?
The canonical SMILES for 6-phenylpyrrolo[3,4-b]pyridine-5,7-dione is O=C1c2cccnc2C(=O)N1c1ccccc1.
What is the InChIKey of 6-phenylpyrrolo[3,4-b]pyridine-5,7-dione?
The InChIKey is VGKYIBIMEHQYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O2/c16-12-10-7-4-8-14-11(10)13(17)15(12)9-5-2-1-3-6-9/h1-8H.
What are the key properties of 6-phenylpyrrolo[3,4-b]pyridine-5,7-dione?
6-phenylpyrrolo[3,4-b]pyridine-5,7-dione has a molecular weight of 224.22 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylpyrrolo[3,4-b]pyridine-5,7-dione is sourced from PubChem (CID 704826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).