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

C19H12FN3O4 — CID 169329599

IUPAC4-amino-5-[2-(2-fluorophenoxy)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
SMILESNc1c2c(cc(=O)n1-c1ccccc1Oc1ccccc1F)C(=O)NC2=O
InChIInChI=1S/C19H12FN3O4/c20-11-5-1-3-7-13(11)27-14-8-4-2-6-12(14)23-15(24)9-10-16(17(23)21)19(26)22-18(10)25/h1-9H,21H2,(H,22,25,26)
InChIKeyLCKKJQNEQJHOGO-UHFFFAOYSA-N
MW365.32 g/mol
LogP2.23
Rot. Bonds3

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

4-amino-5-[2-(2-fluorophenoxy)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione (PubChem CID 169329599) has the molecular formula C19H12FN3O4 and a molecular weight of 365.32 g/mol. Its IUPAC name is 4-amino-5-[2-(2-fluorophenoxy)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione.

Molecular Properties

Compound Name4-amino-5-[2-(2-fluorophenoxy)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
PubChem CID169329599
Molecular FormulaC19H12FN3O4
Molecular Weight365.32 g/mol
Exact Mass365.08
IUPAC Name4-amino-5-[2-(2-fluorophenoxy)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
SMILESNc1c2c(cc(=O)n1-c1ccccc1Oc1ccccc1F)C(=O)NC2=O
InChIInChI=1S/C19H12FN3O4/c20-11-5-1-3-7-13(11)27-14-8-4-2-6-12(14)23-15(24)9-10-16(17(23)21)19(26)22-18(10)25/h1-9H,21H2,(H,22,25,26)
InChIKeyLCKKJQNEQJHOGO-UHFFFAOYSA-N
XLogP2.23
TPSA103.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.32
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(2-fluorophenoxy)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione?
The IUPAC name of 4-amino-5-[2-(2-fluorophenoxy)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione (CID 169329599) is 4-amino-5-[2-(2-fluorophenoxy)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione.
What is the SMILES notation for 4-amino-5-[2-(2-fluorophenoxy)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione?
The canonical SMILES for 4-amino-5-[2-(2-fluorophenoxy)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione is Nc1c2c(cc(=O)n1-c1ccccc1Oc1ccccc1F)C(=O)NC2=O.
What is the InChIKey of 4-amino-5-[2-(2-fluorophenoxy)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione?
The InChIKey is LCKKJQNEQJHOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FN3O4/c20-11-5-1-3-7-13(11)27-14-8-4-2-6-12(14)23-15(24)9-10-16(17(23)21)19(26)22-18(10)25/h1-9H,21H2,(H,22,25,26).
What are the key properties of 4-amino-5-[2-(2-fluorophenoxy)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione?
4-amino-5-[2-(2-fluorophenoxy)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione has a molecular weight of 365.32 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[2-(2-fluorophenoxy)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione is sourced from PubChem (CID 169329599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).