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

C9H8BrF3N2O2 — CID 114761215

IUPAC2-(3-bromo-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1cccc(Br)c1=O)NCC(F)(F)F
InChIInChI=1S/C9H8BrF3N2O2/c10-6-2-1-3-15(8(6)17)4-7(16)14-5-9(11,12)13/h1-3H,4-5H2,(H,14,16)
InChIKeyLLXNINDFYBAAED-UHFFFAOYSA-N
MW313.07 g/mol
LogP1.29
Rot. Bonds3

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

2-(3-bromo-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 114761215) has the molecular formula C9H8BrF3N2O2 and a molecular weight of 313.07 g/mol. Its IUPAC name is 2-(3-bromo-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(3-bromo-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID114761215
Molecular FormulaC9H8BrF3N2O2
Molecular Weight313.07 g/mol
Exact Mass311.97
IUPAC Name2-(3-bromo-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1cccc(Br)c1=O)NCC(F)(F)F
InChIInChI=1S/C9H8BrF3N2O2/c10-6-2-1-3-15(8(6)17)4-7(16)14-5-9(11,12)13/h1-3H,4-5H2,(H,14,16)
InChIKeyLLXNINDFYBAAED-UHFFFAOYSA-N
XLogP1.29
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.07
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(3-bromo-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 114761215) is 2-(3-bromo-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(3-bromo-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(3-bromo-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide is O=C(Cn1cccc(Br)c1=O)NCC(F)(F)F.
What is the InChIKey of 2-(3-bromo-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is LLXNINDFYBAAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF3N2O2/c10-6-2-1-3-15(8(6)17)4-7(16)14-5-9(11,12)13/h1-3H,4-5H2,(H,14,16).
What are the key properties of 2-(3-bromo-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(3-bromo-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 313.07 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 114761215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).