2,2,2-trifluoro-N-(5-methyl-2-oxo-1H-pyridin-3-yl)acetamide

C8H7F3N2O2 — CID 158699580

IUPAC2,2,2-trifluoro-N-(5-methyl-2-oxo-1H-pyridin-3-yl)acetamide
SMILESCc1c[nH]c(=O)c(NC(=O)C(F)(F)F)c1
InChIInChI=1S/C8H7F3N2O2/c1-4-2-5(6(14)12-3-4)13-7(15)8(9,10)11/h2-3H,1H3,(H,12,14)(H,13,15)
InChIKeyIHJFIZHJQXVRKK-UHFFFAOYSA-N
MW220.15 g/mol
LogP1.18
Rot. Bonds1

About 2,2,2-trifluoro-N-(5-methyl-2-oxo-1H-pyridin-3-yl)acetamide

2,2,2-trifluoro-N-(5-methyl-2-oxo-1H-pyridin-3-yl)acetamide (PubChem CID 158699580) has the molecular formula C8H7F3N2O2 and a molecular weight of 220.15 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(5-methyl-2-oxo-1H-pyridin-3-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(5-methyl-2-oxo-1H-pyridin-3-yl)acetamide
PubChem CID158699580
Molecular FormulaC8H7F3N2O2
Molecular Weight220.15 g/mol
Exact Mass220.05
IUPAC Name2,2,2-trifluoro-N-(5-methyl-2-oxo-1H-pyridin-3-yl)acetamide
SMILESCc1c[nH]c(=O)c(NC(=O)C(F)(F)F)c1
InChIInChI=1S/C8H7F3N2O2/c1-4-2-5(6(14)12-3-4)13-7(15)8(9,10)11/h2-3H,1H3,(H,12,14)(H,13,15)
InChIKeyIHJFIZHJQXVRKK-UHFFFAOYSA-N
XLogP1.18
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(5-methyl-2-oxo-1H-pyridin-3-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(5-methyl-2-oxo-1H-pyridin-3-yl)acetamide (CID 158699580) is 2,2,2-trifluoro-N-(5-methyl-2-oxo-1H-pyridin-3-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(5-methyl-2-oxo-1H-pyridin-3-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(5-methyl-2-oxo-1H-pyridin-3-yl)acetamide is Cc1c[nH]c(=O)c(NC(=O)C(F)(F)F)c1.
What is the InChIKey of 2,2,2-trifluoro-N-(5-methyl-2-oxo-1H-pyridin-3-yl)acetamide?
The InChIKey is IHJFIZHJQXVRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O2/c1-4-2-5(6(14)12-3-4)13-7(15)8(9,10)11/h2-3H,1H3,(H,12,14)(H,13,15).
What are the key properties of 2,2,2-trifluoro-N-(5-methyl-2-oxo-1H-pyridin-3-yl)acetamide?
2,2,2-trifluoro-N-(5-methyl-2-oxo-1H-pyridin-3-yl)acetamide has a molecular weight of 220.15 g/mol, XLogP of 1.18, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(5-methyl-2-oxo-1H-pyridin-3-yl)acetamide is sourced from PubChem (CID 158699580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).