4-[(3,5,6-trifluoro-2-pyridinyl)amino]pyrrolidin-2-one

C9H8F3N3O — CID 106192216

IUPAC4-[(3,5,6-trifluoro-2-pyridinyl)amino]pyrrolidin-2-one
SMILESO=C1CC(Nc2nc(F)c(F)cc2F)CN1
InChIInChI=1S/C9H8F3N3O/c10-5-2-6(11)9(15-8(5)12)14-4-1-7(16)13-3-4/h2,4H,1,3H2,(H,13,16)(H,14,15)
InChIKeyCBEZMMWUFWGVKX-UHFFFAOYSA-N
MW231.18 g/mol
LogP0.80
Rot. Bonds2

About 4-[(3,5,6-trifluoro-2-pyridinyl)amino]pyrrolidin-2-one

4-[(3,5,6-trifluoro-2-pyridinyl)amino]pyrrolidin-2-one (PubChem CID 106192216) has the molecular formula C9H8F3N3O and a molecular weight of 231.18 g/mol. Its IUPAC name is 4-[(3,5,6-trifluoro-2-pyridinyl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(3,5,6-trifluoro-2-pyridinyl)amino]pyrrolidin-2-one
PubChem CID106192216
Molecular FormulaC9H8F3N3O
Molecular Weight231.18 g/mol
Exact Mass231.06
IUPAC Name4-[(3,5,6-trifluoro-2-pyridinyl)amino]pyrrolidin-2-one
SMILESO=C1CC(Nc2nc(F)c(F)cc2F)CN1
InChIInChI=1S/C9H8F3N3O/c10-5-2-6(11)9(15-8(5)12)14-4-1-7(16)13-3-4/h2,4H,1,3H2,(H,13,16)(H,14,15)
InChIKeyCBEZMMWUFWGVKX-UHFFFAOYSA-N
XLogP0.80
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.18
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5,6-trifluoro-2-pyridinyl)amino]pyrrolidin-2-one?
The IUPAC name of 4-[(3,5,6-trifluoro-2-pyridinyl)amino]pyrrolidin-2-one (CID 106192216) is 4-[(3,5,6-trifluoro-2-pyridinyl)amino]pyrrolidin-2-one.
What is the SMILES notation for 4-[(3,5,6-trifluoro-2-pyridinyl)amino]pyrrolidin-2-one?
The canonical SMILES for 4-[(3,5,6-trifluoro-2-pyridinyl)amino]pyrrolidin-2-one is O=C1CC(Nc2nc(F)c(F)cc2F)CN1.
What is the InChIKey of 4-[(3,5,6-trifluoro-2-pyridinyl)amino]pyrrolidin-2-one?
The InChIKey is CBEZMMWUFWGVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3O/c10-5-2-6(11)9(15-8(5)12)14-4-1-7(16)13-3-4/h2,4H,1,3H2,(H,13,16)(H,14,15).
What are the key properties of 4-[(3,5,6-trifluoro-2-pyridinyl)amino]pyrrolidin-2-one?
4-[(3,5,6-trifluoro-2-pyridinyl)amino]pyrrolidin-2-one has a molecular weight of 231.18 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5,6-trifluoro-2-pyridinyl)amino]pyrrolidin-2-one is sourced from PubChem (CID 106192216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).