4,5-dimethyl-2-pyridin-3-ylisoindole-1,3-dione

C15H12N2O2 — CID 141093085

IUPAC4,5-dimethyl-2-pyridin-3-ylisoindole-1,3-dione
SMILESCc1ccc2c(c1C)C(=O)N(c1cccnc1)C2=O
InChIInChI=1S/C15H12N2O2/c1-9-5-6-12-13(10(9)2)15(19)17(14(12)18)11-4-3-7-16-8-11/h3-8H,1-2H3
InChIKeyRIQUBCUSEOGFCU-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.50
Rot. Bonds1

About 4,5-dimethyl-2-pyridin-3-ylisoindole-1,3-dione

4,5-dimethyl-2-pyridin-3-ylisoindole-1,3-dione (PubChem CID 141093085) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 4,5-dimethyl-2-pyridin-3-ylisoindole-1,3-dione.

Molecular Properties

Compound Name4,5-dimethyl-2-pyridin-3-ylisoindole-1,3-dione
PubChem CID141093085
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name4,5-dimethyl-2-pyridin-3-ylisoindole-1,3-dione
SMILESCc1ccc2c(c1C)C(=O)N(c1cccnc1)C2=O
InChIInChI=1S/C15H12N2O2/c1-9-5-6-12-13(10(9)2)15(19)17(14(12)18)11-4-3-7-16-8-11/h3-8H,1-2H3
InChIKeyRIQUBCUSEOGFCU-UHFFFAOYSA-N
XLogP2.50
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.50
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 4,5-dimethyl-2-pyridin-3-ylisoindole-1,3-dione?
The IUPAC name of 4,5-dimethyl-2-pyridin-3-ylisoindole-1,3-dione (CID 141093085) is 4,5-dimethyl-2-pyridin-3-ylisoindole-1,3-dione.
What is the SMILES notation for 4,5-dimethyl-2-pyridin-3-ylisoindole-1,3-dione?
The canonical SMILES for 4,5-dimethyl-2-pyridin-3-ylisoindole-1,3-dione is Cc1ccc2c(c1C)C(=O)N(c1cccnc1)C2=O.
What is the InChIKey of 4,5-dimethyl-2-pyridin-3-ylisoindole-1,3-dione?
The InChIKey is RIQUBCUSEOGFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-9-5-6-12-13(10(9)2)15(19)17(14(12)18)11-4-3-7-16-8-11/h3-8H,1-2H3.
What are the key properties of 4,5-dimethyl-2-pyridin-3-ylisoindole-1,3-dione?
4,5-dimethyl-2-pyridin-3-ylisoindole-1,3-dione has a molecular weight of 252.27 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-pyridin-3-ylisoindole-1,3-dione is sourced from PubChem (CID 141093085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).