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

C13H7N3O4 — CID 695599

IUPAC6-(3-nitrophenyl)pyrrolo[3,4-b]pyridine-5,7-dione
SMILESO=C1c2cccnc2C(=O)N1c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H7N3O4/c17-12-10-5-2-6-14-11(10)13(18)15(12)8-3-1-4-9(7-8)16(19)20/h1-7H
InChIKeyRJSLGLDNCFTFET-UHFFFAOYSA-N
MW269.22 g/mol
LogP1.79
Rot. Bonds2

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

6-(3-nitrophenyl)pyrrolo[3,4-b]pyridine-5,7-dione (PubChem CID 695599) has the molecular formula C13H7N3O4 and a molecular weight of 269.22 g/mol. Its IUPAC name is 6-(3-nitrophenyl)pyrrolo[3,4-b]pyridine-5,7-dione.

Molecular Properties

Compound Name6-(3-nitrophenyl)pyrrolo[3,4-b]pyridine-5,7-dione
PubChem CID695599
Molecular FormulaC13H7N3O4
Molecular Weight269.22 g/mol
Exact Mass269.04
IUPAC Name6-(3-nitrophenyl)pyrrolo[3,4-b]pyridine-5,7-dione
SMILESO=C1c2cccnc2C(=O)N1c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H7N3O4/c17-12-10-5-2-6-14-11(10)13(18)15(12)8-3-1-4-9(7-8)16(19)20/h1-7H
InChIKeyRJSLGLDNCFTFET-UHFFFAOYSA-N
XLogP1.79
TPSA93.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.22
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3-nitrophenyl)pyrrolo[3,4-b]pyridine-5,7-dione?
The IUPAC name of 6-(3-nitrophenyl)pyrrolo[3,4-b]pyridine-5,7-dione (CID 695599) is 6-(3-nitrophenyl)pyrrolo[3,4-b]pyridine-5,7-dione.
What is the SMILES notation for 6-(3-nitrophenyl)pyrrolo[3,4-b]pyridine-5,7-dione?
The canonical SMILES for 6-(3-nitrophenyl)pyrrolo[3,4-b]pyridine-5,7-dione is O=C1c2cccnc2C(=O)N1c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 6-(3-nitrophenyl)pyrrolo[3,4-b]pyridine-5,7-dione?
The InChIKey is RJSLGLDNCFTFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7N3O4/c17-12-10-5-2-6-14-11(10)13(18)15(12)8-3-1-4-9(7-8)16(19)20/h1-7H.
What are the key properties of 6-(3-nitrophenyl)pyrrolo[3,4-b]pyridine-5,7-dione?
6-(3-nitrophenyl)pyrrolo[3,4-b]pyridine-5,7-dione has a molecular weight of 269.22 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-nitrophenyl)pyrrolo[3,4-b]pyridine-5,7-dione is sourced from PubChem (CID 695599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).