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

C15H12IN3O4 — CID 169330744

IUPAC4-amino-5-(2-ethoxy-5-iodophenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
SMILESCCOc1ccc(I)cc1-n1c(N)c2c(cc1=O)C(=O)NC2=O
InChIInChI=1S/C15H12IN3O4/c1-2-23-10-4-3-7(16)5-9(10)19-11(20)6-8-12(13(19)17)15(22)18-14(8)21/h3-6H,2,17H2,1H3,(H,18,21,22)
InChIKeyXTDYULVLPHUNFZ-UHFFFAOYSA-N
MW425.18 g/mol
LogP1.31
Rot. Bonds3

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

4-amino-5-(2-ethoxy-5-iodophenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione (PubChem CID 169330744) has the molecular formula C15H12IN3O4 and a molecular weight of 425.18 g/mol. Its IUPAC name is 4-amino-5-(2-ethoxy-5-iodophenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione.

Molecular Properties

Compound Name4-amino-5-(2-ethoxy-5-iodophenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
PubChem CID169330744
Molecular FormulaC15H12IN3O4
Molecular Weight425.18 g/mol
Exact Mass424.99
IUPAC Name4-amino-5-(2-ethoxy-5-iodophenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
SMILESCCOc1ccc(I)cc1-n1c(N)c2c(cc1=O)C(=O)NC2=O
InChIInChI=1S/C15H12IN3O4/c1-2-23-10-4-3-7(16)5-9(10)19-11(20)6-8-12(13(19)17)15(22)18-14(8)21/h3-6H,2,17H2,1H3,(H,18,21,22)
InChIKeyXTDYULVLPHUNFZ-UHFFFAOYSA-N
XLogP1.31
TPSA103.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.18
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(2-ethoxy-5-iodophenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione?
The IUPAC name of 4-amino-5-(2-ethoxy-5-iodophenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione (CID 169330744) is 4-amino-5-(2-ethoxy-5-iodophenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione.
What is the SMILES notation for 4-amino-5-(2-ethoxy-5-iodophenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione?
The canonical SMILES for 4-amino-5-(2-ethoxy-5-iodophenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione is CCOc1ccc(I)cc1-n1c(N)c2c(cc1=O)C(=O)NC2=O.
What is the InChIKey of 4-amino-5-(2-ethoxy-5-iodophenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione?
The InChIKey is XTDYULVLPHUNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12IN3O4/c1-2-23-10-4-3-7(16)5-9(10)19-11(20)6-8-12(13(19)17)15(22)18-14(8)21/h3-6H,2,17H2,1H3,(H,18,21,22).
What are the key properties of 4-amino-5-(2-ethoxy-5-iodophenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione?
4-amino-5-(2-ethoxy-5-iodophenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione has a molecular weight of 425.18 g/mol, XLogP of 1.31, 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-ethoxy-5-iodophenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione is sourced from PubChem (CID 169330744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).