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

C15H12N2O3 — CID 3237849

IUPAC6-(4-ethoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
SMILESCCOc1ccc(N2C(=O)c3cccnc3C2=O)cc1
InChIInChI=1S/C15H12N2O3/c1-2-20-11-7-5-10(6-8-11)17-14(18)12-4-3-9-16-13(12)15(17)19/h3-9H,2H2,1H3
InChIKeyYFILBTXVPJBVBG-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.28
Rot. Bonds3

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

6-(4-ethoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione (PubChem CID 3237849) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 6-(4-ethoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione.

Molecular Properties

Compound Name6-(4-ethoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
PubChem CID3237849
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name6-(4-ethoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
SMILESCCOc1ccc(N2C(=O)c3cccnc3C2=O)cc1
InChIInChI=1S/C15H12N2O3/c1-2-20-11-7-5-10(6-8-11)17-14(18)12-4-3-9-16-13(12)15(17)19/h3-9H,2H2,1H3
InChIKeyYFILBTXVPJBVBG-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-(4-ethoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione?
The IUPAC name of 6-(4-ethoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione (CID 3237849) is 6-(4-ethoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione.
What is the SMILES notation for 6-(4-ethoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione?
The canonical SMILES for 6-(4-ethoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione is CCOc1ccc(N2C(=O)c3cccnc3C2=O)cc1.
What is the InChIKey of 6-(4-ethoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione?
The InChIKey is YFILBTXVPJBVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-2-20-11-7-5-10(6-8-11)17-14(18)12-4-3-9-16-13(12)15(17)19/h3-9H,2H2,1H3.
What are the key properties of 6-(4-ethoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione?
6-(4-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-(4-ethoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione is sourced from PubChem (CID 3237849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).