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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Related Compounds

6-(Phenylamino)-5,8-quinolinedione
CID 3976
4-Phenyl-1-(pyridine-3-carbonyl)pyrrolidin-2-one
CID 3071506
Piberaline
CID 65975
N-(2,5-difluorophenyl)-3-(1,3-dioxo-1,3-dihydro-2H-pyrrolo[3,4-c]pyridin-2-yl)propanamide
CID 1502163
4-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)-N-(2-fluorophenyl)butanamide
CID 4382156
N-(3-chloro-2-methylphenyl)-4-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)butanamide
CID 4604410
N'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)pyridine-3-carbohydrazide
CID 5144092
Phthalimide, N-3-pyridyl-
CID 167793
2-(2-(Pyridin-2-yl)ethyl)-1H-isoindole-1,3(2H)-dione
CID 231380
2-(Pyridin-3-ylmethyl)isoindoline-1,3-dione
CID 709455
5H-Pyrrolo(3,4-b)pyridine-5,7(6H)-dione
CID 72829
4-oxo-2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridine-5-carbaldehyde
CID 24776789

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).