6-(2,4-dimethoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione

C15H12N2O4 — CID 3576682

IUPAC6-(2,4-dimethoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
SMILESCOc1ccc(N2C(=O)c3cccnc3C2=O)c(OC)c1
InChIInChI=1S/C15H12N2O4/c1-20-9-5-6-11(12(8-9)21-2)17-14(18)10-4-3-7-16-13(10)15(17)19/h3-8H,1-2H3
InChIKeyOKJMMYSEWMVUAA-UHFFFAOYSA-N
MW284.27 g/mol
LogP1.90
Rot. Bonds3

About 6-(2,4-dimethoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione

6-(2,4-dimethoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione (PubChem CID 3576682) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is 6-(2,4-dimethoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione.

Molecular Properties

Compound Name6-(2,4-dimethoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
PubChem CID3576682
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC Name6-(2,4-dimethoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
SMILESCOc1ccc(N2C(=O)c3cccnc3C2=O)c(OC)c1
InChIInChI=1S/C15H12N2O4/c1-20-9-5-6-11(12(8-9)21-2)17-14(18)10-4-3-7-16-13(10)15(17)19/h3-8H,1-2H3
InChIKeyOKJMMYSEWMVUAA-UHFFFAOYSA-N
XLogP1.90
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(2,4-dimethoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione?
The IUPAC name of 6-(2,4-dimethoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione (CID 3576682) is 6-(2,4-dimethoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione.
What is the SMILES notation for 6-(2,4-dimethoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione?
The canonical SMILES for 6-(2,4-dimethoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione is COc1ccc(N2C(=O)c3cccnc3C2=O)c(OC)c1.
What is the InChIKey of 6-(2,4-dimethoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione?
The InChIKey is OKJMMYSEWMVUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4/c1-20-9-5-6-11(12(8-9)21-2)17-14(18)10-4-3-7-16-13(10)15(17)19/h3-8H,1-2H3.
What are the key properties of 6-(2,4-dimethoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione?
6-(2,4-dimethoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione has a molecular weight of 284.27 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione is sourced from PubChem (CID 3576682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).