2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide

C11H12BrF3N2O3 — CID 103857275

IUPAC2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1cc(Br)ccc1=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C11H12BrF3N2O3/c12-8-1-2-9(19)17(5-8)6-10(20)16(3-4-18)7-11(13,14)15/h1-2,5,18H,3-4,6-7H2
InChIKeyHOILMONJMMNGCC-UHFFFAOYSA-N
MW357.13 g/mol
LogP0.99
Rot. Bonds5

About 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide

2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 103857275) has the molecular formula C11H12BrF3N2O3 and a molecular weight of 357.13 g/mol. Its IUPAC name is 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID103857275
Molecular FormulaC11H12BrF3N2O3
Molecular Weight357.13 g/mol
Exact Mass356.00
IUPAC Name2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1cc(Br)ccc1=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C11H12BrF3N2O3/c12-8-1-2-9(19)17(5-8)6-10(20)16(3-4-18)7-11(13,14)15/h1-2,5,18H,3-4,6-7H2
InChIKeyHOILMONJMMNGCC-UHFFFAOYSA-N
XLogP0.99
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.13
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide 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 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 103857275) is 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide is O=C(Cn1cc(Br)ccc1=O)N(CCO)CC(F)(F)F.
What is the InChIKey of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is HOILMONJMMNGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF3N2O3/c12-8-1-2-9(19)17(5-8)6-10(20)16(3-4-18)7-11(13,14)15/h1-2,5,18H,3-4,6-7H2.
What are the key properties of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 357.13 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 103857275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).