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

C10H10BrF3N2O2 — CID 81422627

IUPAC2-(5-bromo-3-methyl-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1cc(Br)cn(CC(=O)NCC(F)(F)F)c1=O
InChIInChI=1S/C10H10BrF3N2O2/c1-6-2-7(11)3-16(9(6)18)4-8(17)15-5-10(12,13)14/h2-3H,4-5H2,1H3,(H,15,17)
InChIKeyZUPFUYWZIPOQMO-UHFFFAOYSA-N
MW327.10 g/mol
LogP1.60
Rot. Bonds3

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

2-(5-bromo-3-methyl-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 81422627) has the molecular formula C10H10BrF3N2O2 and a molecular weight of 327.10 g/mol. Its IUPAC name is 2-(5-bromo-3-methyl-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-3-methyl-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID81422627
Molecular FormulaC10H10BrF3N2O2
Molecular Weight327.10 g/mol
Exact Mass325.99
IUPAC Name2-(5-bromo-3-methyl-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1cc(Br)cn(CC(=O)NCC(F)(F)F)c1=O
InChIInChI=1S/C10H10BrF3N2O2/c1-6-2-7(11)3-16(9(6)18)4-8(17)15-5-10(12,13)14/h2-3H,4-5H2,1H3,(H,15,17)
InChIKeyZUPFUYWZIPOQMO-UHFFFAOYSA-N
XLogP1.60
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.10
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-methyl-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(5-bromo-3-methyl-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 81422627) is 2-(5-bromo-3-methyl-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(5-bromo-3-methyl-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(5-bromo-3-methyl-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide is Cc1cc(Br)cn(CC(=O)NCC(F)(F)F)c1=O.
What is the InChIKey of 2-(5-bromo-3-methyl-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is ZUPFUYWZIPOQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF3N2O2/c1-6-2-7(11)3-16(9(6)18)4-8(17)15-5-10(12,13)14/h2-3H,4-5H2,1H3,(H,15,17).
What are the key properties of 2-(5-bromo-3-methyl-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(5-bromo-3-methyl-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 327.10 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-methyl-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 81422627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).