2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid

C11H10BrF3N2O4 — CID 79265277

IUPAC2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C11H10BrF3N2O4/c12-7-1-2-8(18)16(3-7)4-9(19)17(5-10(20)21)6-11(13,14)15/h1-3H,4-6H2,(H,20,21)
InChIKeyXGJVOFOTUHYJJS-UHFFFAOYSA-N
MW371.11 g/mol
LogP1.09
Rot. Bonds5

About 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid

2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79265277) has the molecular formula C11H10BrF3N2O4 and a molecular weight of 371.11 g/mol. Its IUPAC name is 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79265277
Molecular FormulaC11H10BrF3N2O4
Molecular Weight371.11 g/mol
Exact Mass369.98
IUPAC Name2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C11H10BrF3N2O4/c12-7-1-2-8(18)16(3-7)4-9(19)17(5-10(20)21)6-11(13,14)15/h1-3H,4-6H2,(H,20,21)
InChIKeyXGJVOFOTUHYJJS-UHFFFAOYSA-N
XLogP1.09
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.11
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid 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-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79265277) is 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CC(F)(F)F)C(=O)Cn1cc(Br)ccc1=O.
What is the InChIKey of 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is XGJVOFOTUHYJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF3N2O4/c12-7-1-2-8(18)16(3-7)4-9(19)17(5-10(20)21)6-11(13,14)15/h1-3H,4-6H2,(H,20,21).
What are the key properties of 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 371.11 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79265277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).