2-(5-amino-3-bromo-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide

C9H9BrF3N3O2 — CID 80501744

IUPAC2-(5-amino-3-bromo-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESNc1cc(Br)c(=O)n(CC(=O)NCC(F)(F)F)c1
InChIInChI=1S/C9H9BrF3N3O2/c10-6-1-5(14)2-16(8(6)18)3-7(17)15-4-9(11,12)13/h1-2H,3-4,14H2,(H,15,17)
InChIKeyRFRHLJLRHVIOQG-UHFFFAOYSA-N
MW328.09 g/mol
LogP0.87
Rot. Bonds3

About 2-(5-amino-3-bromo-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide

2-(5-amino-3-bromo-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 80501744) has the molecular formula C9H9BrF3N3O2 and a molecular weight of 328.09 g/mol. Its IUPAC name is 2-(5-amino-3-bromo-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(5-amino-3-bromo-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID80501744
Molecular FormulaC9H9BrF3N3O2
Molecular Weight328.09 g/mol
Exact Mass326.98
IUPAC Name2-(5-amino-3-bromo-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESNc1cc(Br)c(=O)n(CC(=O)NCC(F)(F)F)c1
InChIInChI=1S/C9H9BrF3N3O2/c10-6-1-5(14)2-16(8(6)18)3-7(17)15-4-9(11,12)13/h1-2H,3-4,14H2,(H,15,17)
InChIKeyRFRHLJLRHVIOQG-UHFFFAOYSA-N
XLogP0.87
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.09
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-bromo-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(5-amino-3-bromo-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 80501744) is 2-(5-amino-3-bromo-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(5-amino-3-bromo-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(5-amino-3-bromo-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide is Nc1cc(Br)c(=O)n(CC(=O)NCC(F)(F)F)c1.
What is the InChIKey of 2-(5-amino-3-bromo-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is RFRHLJLRHVIOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF3N3O2/c10-6-1-5(14)2-16(8(6)18)3-7(17)15-4-9(11,12)13/h1-2H,3-4,14H2,(H,15,17).
What are the key properties of 2-(5-amino-3-bromo-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(5-amino-3-bromo-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 328.09 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-bromo-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 80501744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).