2-(4,6-dimethyl-2-pyridinyl)isoindole-1,3-dione

C15H12N2O2 — CID 11064900

IUPAC2-(4,6-dimethyl-2-pyridinyl)isoindole-1,3-dione
SMILESCc1cc(C)nc(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C15H12N2O2/c1-9-7-10(2)16-13(8-9)17-14(18)11-5-3-4-6-12(11)15(17)19/h3-8H,1-2H3
InChIKeyPNZIAPKXGJPYLD-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.50
Rot. Bonds1

About 2-(4,6-dimethyl-2-pyridinyl)isoindole-1,3-dione

2-(4,6-dimethyl-2-pyridinyl)isoindole-1,3-dione (PubChem CID 11064900) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-(4,6-dimethyl-2-pyridinyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(4,6-dimethyl-2-pyridinyl)isoindole-1,3-dione
PubChem CID11064900
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name2-(4,6-dimethyl-2-pyridinyl)isoindole-1,3-dione
SMILESCc1cc(C)nc(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C15H12N2O2/c1-9-7-10(2)16-13(8-9)17-14(18)11-5-3-4-6-12(11)15(17)19/h3-8H,1-2H3
InChIKeyPNZIAPKXGJPYLD-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 2-(4,6-dimethyl-2-pyridinyl)isoindole-1,3-dione?
The IUPAC name of 2-(4,6-dimethyl-2-pyridinyl)isoindole-1,3-dione (CID 11064900) is 2-(4,6-dimethyl-2-pyridinyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(4,6-dimethyl-2-pyridinyl)isoindole-1,3-dione?
The canonical SMILES for 2-(4,6-dimethyl-2-pyridinyl)isoindole-1,3-dione is Cc1cc(C)nc(N2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of 2-(4,6-dimethyl-2-pyridinyl)isoindole-1,3-dione?
The InChIKey is PNZIAPKXGJPYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-9-7-10(2)16-13(8-9)17-14(18)11-5-3-4-6-12(11)15(17)19/h3-8H,1-2H3.
What are the key properties of 2-(4,6-dimethyl-2-pyridinyl)isoindole-1,3-dione?
2-(4,6-dimethyl-2-pyridinyl)isoindole-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 2-(4,6-dimethyl-2-pyridinyl)isoindole-1,3-dione is sourced from PubChem (CID 11064900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).