4-amino-5-(2,5-difluorophenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione

C13H7F2N3O3 — CID 169331463

IUPAC4-amino-5-(2,5-difluorophenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
SMILESNc1c2c(cc(=O)n1-c1cc(F)ccc1F)C(=O)NC2=O
InChIInChI=1S/C13H7F2N3O3/c14-5-1-2-7(15)8(3-5)18-9(19)4-6-10(11(18)16)13(21)17-12(6)20/h1-4H,16H2,(H,17,20,21)
InChIKeyGOLDYGJSVLSRNO-UHFFFAOYSA-N
MW291.21 g/mol
LogP0.58
Rot. Bonds1

About 4-amino-5-(2,5-difluorophenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione

4-amino-5-(2,5-difluorophenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione (PubChem CID 169331463) has the molecular formula C13H7F2N3O3 and a molecular weight of 291.21 g/mol. Its IUPAC name is 4-amino-5-(2,5-difluorophenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione.

Molecular Properties

Compound Name4-amino-5-(2,5-difluorophenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
PubChem CID169331463
Molecular FormulaC13H7F2N3O3
Molecular Weight291.21 g/mol
Exact Mass291.05
IUPAC Name4-amino-5-(2,5-difluorophenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
SMILESNc1c2c(cc(=O)n1-c1cc(F)ccc1F)C(=O)NC2=O
InChIInChI=1S/C13H7F2N3O3/c14-5-1-2-7(15)8(3-5)18-9(19)4-6-10(11(18)16)13(21)17-12(6)20/h1-4H,16H2,(H,17,20,21)
InChIKeyGOLDYGJSVLSRNO-UHFFFAOYSA-N
XLogP0.58
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.21
LogP ≤ 50.58
H-Bond Donors ≤ 52
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 4-amino-5-(2,5-difluorophenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione?
The IUPAC name of 4-amino-5-(2,5-difluorophenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione (CID 169331463) is 4-amino-5-(2,5-difluorophenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione.
What is the SMILES notation for 4-amino-5-(2,5-difluorophenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione?
The canonical SMILES for 4-amino-5-(2,5-difluorophenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione is Nc1c2c(cc(=O)n1-c1cc(F)ccc1F)C(=O)NC2=O.
What is the InChIKey of 4-amino-5-(2,5-difluorophenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione?
The InChIKey is GOLDYGJSVLSRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F2N3O3/c14-5-1-2-7(15)8(3-5)18-9(19)4-6-10(11(18)16)13(21)17-12(6)20/h1-4H,16H2,(H,17,20,21).
What are the key properties of 4-amino-5-(2,5-difluorophenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione?
4-amino-5-(2,5-difluorophenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione has a molecular weight of 291.21 g/mol, XLogP of 0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(2,5-difluorophenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione is sourced from PubChem (CID 169331463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).