5-bromo-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyridin-2-one

C9H10BrF3N2O — CID 62564546

IUPAC5-bromo-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyridin-2-one
SMILESO=c1ccc(Br)cn1CCNCC(F)(F)F
InChIInChI=1S/C9H10BrF3N2O/c10-7-1-2-8(16)15(5-7)4-3-14-6-9(11,12)13/h1-2,5,14H,3-4,6H2
InChIKeyZBFREZOOGPDUMU-UHFFFAOYSA-N
MW299.09 g/mol
LogP1.76
Rot. Bonds4

About 5-bromo-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyridin-2-one

5-bromo-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyridin-2-one (PubChem CID 62564546) has the molecular formula C9H10BrF3N2O and a molecular weight of 299.09 g/mol. Its IUPAC name is 5-bromo-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyridin-2-one
PubChem CID62564546
Molecular FormulaC9H10BrF3N2O
Molecular Weight299.09 g/mol
Exact Mass297.99
IUPAC Name5-bromo-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyridin-2-one
SMILESO=c1ccc(Br)cn1CCNCC(F)(F)F
InChIInChI=1S/C9H10BrF3N2O/c10-7-1-2-8(16)15(5-7)4-3-14-6-9(11,12)13/h1-2,5,14H,3-4,6H2
InChIKeyZBFREZOOGPDUMU-UHFFFAOYSA-N
XLogP1.76
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.09
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyridin-2-one?
The IUPAC name of 5-bromo-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyridin-2-one (CID 62564546) is 5-bromo-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyridin-2-one.
What is the SMILES notation for 5-bromo-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyridin-2-one?
The canonical SMILES for 5-bromo-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyridin-2-one is O=c1ccc(Br)cn1CCNCC(F)(F)F.
What is the InChIKey of 5-bromo-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyridin-2-one?
The InChIKey is ZBFREZOOGPDUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF3N2O/c10-7-1-2-8(16)15(5-7)4-3-14-6-9(11,12)13/h1-2,5,14H,3-4,6H2.
What are the key properties of 5-bromo-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyridin-2-one?
5-bromo-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyridin-2-one has a molecular weight of 299.09 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyridin-2-one is sourced from PubChem (CID 62564546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).