1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2,5-dione

C10H7F3N2O2 — CID 76900169

IUPAC1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1c1cc(C(F)(F)F)ccn1
InChIInChI=1S/C10H7F3N2O2/c11-10(12,13)6-3-4-14-7(5-6)15-8(16)1-2-9(15)17/h3-5H,1-2H2
InChIKeyHVLUTQMLVMRZKW-UHFFFAOYSA-N
MW244.17 g/mol
LogP1.75
Rot. Bonds1

About 1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2,5-dione

1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2,5-dione (PubChem CID 76900169) has the molecular formula C10H7F3N2O2 and a molecular weight of 244.17 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2,5-dione
PubChem CID76900169
Molecular FormulaC10H7F3N2O2
Molecular Weight244.17 g/mol
Exact Mass244.05
IUPAC Name1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1c1cc(C(F)(F)F)ccn1
InChIInChI=1S/C10H7F3N2O2/c11-10(12,13)6-3-4-14-7(5-6)15-8(16)1-2-9(15)17/h3-5H,1-2H2
InChIKeyHVLUTQMLVMRZKW-UHFFFAOYSA-N
XLogP1.75
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.17
LogP ≤ 51.75
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 1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2,5-dione (CID 76900169) is 1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1c1cc(C(F)(F)F)ccn1.
What is the InChIKey of 1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2,5-dione?
The InChIKey is HVLUTQMLVMRZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O2/c11-10(12,13)6-3-4-14-7(5-6)15-8(16)1-2-9(15)17/h3-5H,1-2H2.
What are the key properties of 1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2,5-dione?
1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2,5-dione has a molecular weight of 244.17 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 76900169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).