6-methylpyrrolo[3,4-b]pyridine-5,7-dione

C8H6N2O2 — CID 5325721

IUPAC6-methylpyrrolo[3,4-b]pyridine-5,7-dione
SMILESCN1C(=O)c2cccnc2C1=O
InChIInChI=1S/C8H6N2O2/c1-10-7(11)5-3-2-4-9-6(5)8(10)12/h2-4H,1H3
InChIKeyLKYINPYNYHIZKR-UHFFFAOYSA-N
MW162.15 g/mol
LogP0.31
Rot. Bonds

About 6-methylpyrrolo[3,4-b]pyridine-5,7-dione

6-methylpyrrolo[3,4-b]pyridine-5,7-dione (PubChem CID 5325721) has the molecular formula C8H6N2O2 and a molecular weight of 162.15 g/mol. Its IUPAC name is 6-methylpyrrolo[3,4-b]pyridine-5,7-dione.

Molecular Properties

Compound Name6-methylpyrrolo[3,4-b]pyridine-5,7-dione
PubChem CID5325721
Molecular FormulaC8H6N2O2
Molecular Weight162.15 g/mol
Exact Mass162.04
IUPAC Name6-methylpyrrolo[3,4-b]pyridine-5,7-dione
SMILESCN1C(=O)c2cccnc2C1=O
InChIInChI=1S/C8H6N2O2/c1-10-7(11)5-3-2-4-9-6(5)8(10)12/h2-4H,1H3
InChIKeyLKYINPYNYHIZKR-UHFFFAOYSA-N
XLogP0.31
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methylpyrrolo[3,4-b]pyridine-5,7-dione?
The IUPAC name of 6-methylpyrrolo[3,4-b]pyridine-5,7-dione (CID 5325721) is 6-methylpyrrolo[3,4-b]pyridine-5,7-dione.
What is the SMILES notation for 6-methylpyrrolo[3,4-b]pyridine-5,7-dione?
The canonical SMILES for 6-methylpyrrolo[3,4-b]pyridine-5,7-dione is CN1C(=O)c2cccnc2C1=O.
What is the InChIKey of 6-methylpyrrolo[3,4-b]pyridine-5,7-dione?
The InChIKey is LKYINPYNYHIZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2/c1-10-7(11)5-3-2-4-9-6(5)8(10)12/h2-4H,1H3.
What are the key properties of 6-methylpyrrolo[3,4-b]pyridine-5,7-dione?
6-methylpyrrolo[3,4-b]pyridine-5,7-dione has a molecular weight of 162.15 g/mol, XLogP of 0.31, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylpyrrolo[3,4-b]pyridine-5,7-dione is sourced from PubChem (CID 5325721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).