6-(2-methoxy-5-nitrophenyl)pyrrolo[3,4-b]pyridine-5,7-dione

C14H9N3O5 — CID 839370

IUPAC6-(2-methoxy-5-nitrophenyl)pyrrolo[3,4-b]pyridine-5,7-dione
SMILESCOc1ccc([N+](=O)[O-])cc1N1C(=O)c2cccnc2C1=O
InChIInChI=1S/C14H9N3O5/c1-22-11-5-4-8(17(20)21)7-10(11)16-13(18)9-3-2-6-15-12(9)14(16)19/h2-7H,1H3
InChIKeyLKZXYRNSLYRYGC-UHFFFAOYSA-N
MW299.24 g/mol
LogP1.80
Rot. Bonds3

About 6-(2-methoxy-5-nitrophenyl)pyrrolo[3,4-b]pyridine-5,7-dione

6-(2-methoxy-5-nitrophenyl)pyrrolo[3,4-b]pyridine-5,7-dione (PubChem CID 839370) has the molecular formula C14H9N3O5 and a molecular weight of 299.24 g/mol. Its IUPAC name is 6-(2-methoxy-5-nitrophenyl)pyrrolo[3,4-b]pyridine-5,7-dione.

Molecular Properties

Compound Name6-(2-methoxy-5-nitrophenyl)pyrrolo[3,4-b]pyridine-5,7-dione
PubChem CID839370
Molecular FormulaC14H9N3O5
Molecular Weight299.24 g/mol
Exact Mass299.05
IUPAC Name6-(2-methoxy-5-nitrophenyl)pyrrolo[3,4-b]pyridine-5,7-dione
SMILESCOc1ccc([N+](=O)[O-])cc1N1C(=O)c2cccnc2C1=O
InChIInChI=1S/C14H9N3O5/c1-22-11-5-4-8(17(20)21)7-10(11)16-13(18)9-3-2-6-15-12(9)14(16)19/h2-7H,1H3
InChIKeyLKZXYRNSLYRYGC-UHFFFAOYSA-N
XLogP1.80
TPSA102.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.24
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(2-methoxy-5-nitrophenyl)pyrrolo[3,4-b]pyridine-5,7-dione?
The IUPAC name of 6-(2-methoxy-5-nitrophenyl)pyrrolo[3,4-b]pyridine-5,7-dione (CID 839370) is 6-(2-methoxy-5-nitrophenyl)pyrrolo[3,4-b]pyridine-5,7-dione.
What is the SMILES notation for 6-(2-methoxy-5-nitrophenyl)pyrrolo[3,4-b]pyridine-5,7-dione?
The canonical SMILES for 6-(2-methoxy-5-nitrophenyl)pyrrolo[3,4-b]pyridine-5,7-dione is COc1ccc([N+](=O)[O-])cc1N1C(=O)c2cccnc2C1=O.
What is the InChIKey of 6-(2-methoxy-5-nitrophenyl)pyrrolo[3,4-b]pyridine-5,7-dione?
The InChIKey is LKZXYRNSLYRYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O5/c1-22-11-5-4-8(17(20)21)7-10(11)16-13(18)9-3-2-6-15-12(9)14(16)19/h2-7H,1H3.
What are the key properties of 6-(2-methoxy-5-nitrophenyl)pyrrolo[3,4-b]pyridine-5,7-dione?
6-(2-methoxy-5-nitrophenyl)pyrrolo[3,4-b]pyridine-5,7-dione has a molecular weight of 299.24 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxy-5-nitrophenyl)pyrrolo[3,4-b]pyridine-5,7-dione is sourced from PubChem (CID 839370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).