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

C14H10N2O2 — CID 706271

IUPAC6-(3-methylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
SMILESCc1cccc(N2C(=O)c3cccnc3C2=O)c1
InChIInChI=1S/C14H10N2O2/c1-9-4-2-5-10(8-9)16-13(17)11-6-3-7-15-12(11)14(16)18/h2-8H,1H3
InChIKeyFDTNEQNESGVVHH-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.19
Rot. Bonds1

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

6-(3-methylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione (PubChem CID 706271) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 6-(3-methylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione.

Molecular Properties

Compound Name6-(3-methylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
PubChem CID706271
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name6-(3-methylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
SMILESCc1cccc(N2C(=O)c3cccnc3C2=O)c1
InChIInChI=1S/C14H10N2O2/c1-9-4-2-5-10(8-9)16-13(17)11-6-3-7-15-12(11)14(16)18/h2-8H,1H3
InChIKeyFDTNEQNESGVVHH-UHFFFAOYSA-N
XLogP2.19
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.19
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-(3-methylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione?
The IUPAC name of 6-(3-methylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione (CID 706271) is 6-(3-methylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione.
What is the SMILES notation for 6-(3-methylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione?
The canonical SMILES for 6-(3-methylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione is Cc1cccc(N2C(=O)c3cccnc3C2=O)c1.
What is the InChIKey of 6-(3-methylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione?
The InChIKey is FDTNEQNESGVVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c1-9-4-2-5-10(8-9)16-13(17)11-6-3-7-15-12(11)14(16)18/h2-8H,1H3.
What are the key properties of 6-(3-methylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione?
6-(3-methylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione has a molecular weight of 238.25 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione is sourced from PubChem (CID 706271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).