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

C14H10N2O3 — CID 682662

IUPAC6-(4-methoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
SMILESCOc1ccc(N2C(=O)c3cccnc3C2=O)cc1
InChIInChI=1S/C14H10N2O3/c1-19-10-6-4-9(5-7-10)16-13(17)11-3-2-8-15-12(11)14(16)18/h2-8H,1H3
InChIKeyLNIJAGSPSMYFJB-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.89
Rot. Bonds2

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

6-(4-methoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione (PubChem CID 682662) has the molecular formula C14H10N2O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione.

Molecular Properties

Compound Name6-(4-methoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
PubChem CID682662
Molecular FormulaC14H10N2O3
Molecular Weight254.25 g/mol
Exact Mass254.07
IUPAC Name6-(4-methoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
SMILESCOc1ccc(N2C(=O)c3cccnc3C2=O)cc1
InChIInChI=1S/C14H10N2O3/c1-19-10-6-4-9(5-7-10)16-13(17)11-3-2-8-15-12(11)14(16)18/h2-8H,1H3
InChIKeyLNIJAGSPSMYFJB-UHFFFAOYSA-N
XLogP1.89
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione?
The IUPAC name of 6-(4-methoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione (CID 682662) is 6-(4-methoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione.
What is the SMILES notation for 6-(4-methoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione?
The canonical SMILES for 6-(4-methoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione is COc1ccc(N2C(=O)c3cccnc3C2=O)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione?
The InChIKey is LNIJAGSPSMYFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3/c1-19-10-6-4-9(5-7-10)16-13(17)11-3-2-8-15-12(11)14(16)18/h2-8H,1H3.
What are the key properties of 6-(4-methoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione?
6-(4-methoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione has a molecular weight of 254.25 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione is sourced from PubChem (CID 682662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).