2-(4,6-dimethyl-2-pyridinyl)-5-fluoroisoindole-1,3-dione

C15H11FN2O2 — CID 10956571

IUPAC2-(4,6-dimethyl-2-pyridinyl)-5-fluoroisoindole-1,3-dione
SMILESCc1cc(C)nc(N2C(=O)c3ccc(F)cc3C2=O)c1
InChIInChI=1S/C15H11FN2O2/c1-8-5-9(2)17-13(6-8)18-14(19)11-4-3-10(16)7-12(11)15(18)20/h3-7H,1-2H3
InChIKeyNMMHTQXETMTBCK-UHFFFAOYSA-N
MW270.26 g/mol
LogP2.64
Rot. Bonds1

About 2-(4,6-dimethyl-2-pyridinyl)-5-fluoroisoindole-1,3-dione

2-(4,6-dimethyl-2-pyridinyl)-5-fluoroisoindole-1,3-dione (PubChem CID 10956571) has the molecular formula C15H11FN2O2 and a molecular weight of 270.26 g/mol. Its IUPAC name is 2-(4,6-dimethyl-2-pyridinyl)-5-fluoroisoindole-1,3-dione.

Molecular Properties

Compound Name2-(4,6-dimethyl-2-pyridinyl)-5-fluoroisoindole-1,3-dione
PubChem CID10956571
Molecular FormulaC15H11FN2O2
Molecular Weight270.26 g/mol
Exact Mass270.08
IUPAC Name2-(4,6-dimethyl-2-pyridinyl)-5-fluoroisoindole-1,3-dione
SMILESCc1cc(C)nc(N2C(=O)c3ccc(F)cc3C2=O)c1
InChIInChI=1S/C15H11FN2O2/c1-8-5-9(2)17-13(6-8)18-14(19)11-4-3-10(16)7-12(11)15(18)20/h3-7H,1-2H3
InChIKeyNMMHTQXETMTBCK-UHFFFAOYSA-N
XLogP2.64
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 52.64
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)-5-fluoroisoindole-1,3-dione?
The IUPAC name of 2-(4,6-dimethyl-2-pyridinyl)-5-fluoroisoindole-1,3-dione (CID 10956571) is 2-(4,6-dimethyl-2-pyridinyl)-5-fluoroisoindole-1,3-dione.
What is the SMILES notation for 2-(4,6-dimethyl-2-pyridinyl)-5-fluoroisoindole-1,3-dione?
The canonical SMILES for 2-(4,6-dimethyl-2-pyridinyl)-5-fluoroisoindole-1,3-dione is Cc1cc(C)nc(N2C(=O)c3ccc(F)cc3C2=O)c1.
What is the InChIKey of 2-(4,6-dimethyl-2-pyridinyl)-5-fluoroisoindole-1,3-dione?
The InChIKey is NMMHTQXETMTBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2/c1-8-5-9(2)17-13(6-8)18-14(19)11-4-3-10(16)7-12(11)15(18)20/h3-7H,1-2H3.
What are the key properties of 2-(4,6-dimethyl-2-pyridinyl)-5-fluoroisoindole-1,3-dione?
2-(4,6-dimethyl-2-pyridinyl)-5-fluoroisoindole-1,3-dione has a molecular weight of 270.26 g/mol, XLogP of 2.64, 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)-5-fluoroisoindole-1,3-dione is sourced from PubChem (CID 10956571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).