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

C15H10N2O3 — CID 79671598

IUPAC6-(2-acetylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
SMILESCC(=O)c1ccccc1N1C(=O)c2cccnc2C1=O
InChIInChI=1S/C15H10N2O3/c1-9(18)10-5-2-3-7-12(10)17-14(19)11-6-4-8-16-13(11)15(17)20/h2-8H,1H3
InChIKeyJADMONSEEURUSK-UHFFFAOYSA-N
MW266.26 g/mol
LogP2.08
Rot. Bonds2

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

6-(2-acetylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione (PubChem CID 79671598) has the molecular formula C15H10N2O3 and a molecular weight of 266.26 g/mol. Its IUPAC name is 6-(2-acetylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione.

Molecular Properties

Compound Name6-(2-acetylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
PubChem CID79671598
Molecular FormulaC15H10N2O3
Molecular Weight266.26 g/mol
Exact Mass266.07
IUPAC Name6-(2-acetylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
SMILESCC(=O)c1ccccc1N1C(=O)c2cccnc2C1=O
InChIInChI=1S/C15H10N2O3/c1-9(18)10-5-2-3-7-12(10)17-14(19)11-6-4-8-16-13(11)15(17)20/h2-8H,1H3
InChIKeyJADMONSEEURUSK-UHFFFAOYSA-N
XLogP2.08
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 52.08
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-acetylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione?
The IUPAC name of 6-(2-acetylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione (CID 79671598) is 6-(2-acetylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione.
What is the SMILES notation for 6-(2-acetylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione?
The canonical SMILES for 6-(2-acetylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione is CC(=O)c1ccccc1N1C(=O)c2cccnc2C1=O.
What is the InChIKey of 6-(2-acetylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione?
The InChIKey is JADMONSEEURUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O3/c1-9(18)10-5-2-3-7-12(10)17-14(19)11-6-4-8-16-13(11)15(17)20/h2-8H,1H3.
What are the key properties of 6-(2-acetylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione?
6-(2-acetylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione has a molecular weight of 266.26 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-acetylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione is sourced from PubChem (CID 79671598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).