5-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one

C9H11F3N2O2 — CID 43259845

IUPAC5-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one
SMILESNc1ccc(=O)n(CCOCC(F)(F)F)c1
InChIInChI=1S/C9H11F3N2O2/c10-9(11,12)6-16-4-3-14-5-7(13)1-2-8(14)15/h1-2,5H,3-4,6,13H2
InChIKeyZWJFXMWPBIXMIS-UHFFFAOYSA-N
MW236.19 g/mol
LogP1.01
Rot. Bonds4

About 5-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one

5-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one (PubChem CID 43259845) has the molecular formula C9H11F3N2O2 and a molecular weight of 236.19 g/mol. Its IUPAC name is 5-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one
PubChem CID43259845
Molecular FormulaC9H11F3N2O2
Molecular Weight236.19 g/mol
Exact Mass236.08
IUPAC Name5-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one
SMILESNc1ccc(=O)n(CCOCC(F)(F)F)c1
InChIInChI=1S/C9H11F3N2O2/c10-9(11,12)6-16-4-3-14-5-7(13)1-2-8(14)15/h1-2,5H,3-4,6,13H2
InChIKeyZWJFXMWPBIXMIS-UHFFFAOYSA-N
XLogP1.01
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one (CID 43259845) is 5-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one is Nc1ccc(=O)n(CCOCC(F)(F)F)c1.
What is the InChIKey of 5-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one?
The InChIKey is ZWJFXMWPBIXMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2/c10-9(11,12)6-16-4-3-14-5-7(13)1-2-8(14)15/h1-2,5H,3-4,6,13H2.
What are the key properties of 5-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one?
5-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one has a molecular weight of 236.19 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one is sourced from PubChem (CID 43259845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).