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

C15H12N2O3 — CID 709881

IUPAC6-(2-ethoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
SMILESCCOc1ccccc1N1C(=O)c2cccnc2C1=O
InChIInChI=1S/C15H12N2O3/c1-2-20-12-8-4-3-7-11(12)17-14(18)10-6-5-9-16-13(10)15(17)19/h3-9H,2H2,1H3
InChIKeyULNNOQSNWGXTDM-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.28
Rot. Bonds3

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

6-(2-ethoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione (PubChem CID 709881) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 6-(2-ethoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione.

Molecular Properties

Compound Name6-(2-ethoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
PubChem CID709881
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name6-(2-ethoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
SMILESCCOc1ccccc1N1C(=O)c2cccnc2C1=O
InChIInChI=1S/C15H12N2O3/c1-2-20-12-8-4-3-7-11(12)17-14(18)10-6-5-9-16-13(10)15(17)19/h3-9H,2H2,1H3
InChIKeyULNNOQSNWGXTDM-UHFFFAOYSA-N
XLogP2.28
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-ethoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione?
The IUPAC name of 6-(2-ethoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione (CID 709881) is 6-(2-ethoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione.
What is the SMILES notation for 6-(2-ethoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione?
The canonical SMILES for 6-(2-ethoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione is CCOc1ccccc1N1C(=O)c2cccnc2C1=O.
What is the InChIKey of 6-(2-ethoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione?
The InChIKey is ULNNOQSNWGXTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-2-20-12-8-4-3-7-11(12)17-14(18)10-6-5-9-16-13(10)15(17)19/h3-9H,2H2,1H3.
What are the key properties of 6-(2-ethoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione?
6-(2-ethoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione has a molecular weight of 268.27 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione is sourced from PubChem (CID 709881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).