5-(trifluoromethyl)-3H-pyridin-2-one

C6H4F3NO — CID 56995478

IUPAC5-(trifluoromethyl)-3H-pyridin-2-one
SMILESO=C1CC=C(C(F)(F)F)C=N1
InChIInChI=1S/C6H4F3NO/c7-6(8,9)4-1-2-5(11)10-3-4/h1,3H,2H2
InChIKeyZUWWPUHZKOEWBK-UHFFFAOYSA-N
MW163.10 g/mol
LogP1.48
Rot. Bonds

About 5-(trifluoromethyl)-3H-pyridin-2-one

5-(trifluoromethyl)-3H-pyridin-2-one (PubChem CID 56995478) has the molecular formula C6H4F3NO and a molecular weight of 163.10 g/mol. Its IUPAC name is 5-(trifluoromethyl)-3H-pyridin-2-one.

Molecular Properties

Compound Name5-(trifluoromethyl)-3H-pyridin-2-one
PubChem CID56995478
Molecular FormulaC6H4F3NO
Molecular Weight163.10 g/mol
Exact Mass163.02
IUPAC Name5-(trifluoromethyl)-3H-pyridin-2-one
SMILESO=C1CC=C(C(F)(F)F)C=N1
InChIInChI=1S/C6H4F3NO/c7-6(8,9)4-1-2-5(11)10-3-4/h1,3H,2H2
InChIKeyZUWWPUHZKOEWBK-UHFFFAOYSA-N
XLogP1.48
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.10
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-3H-pyridin-2-one?
The IUPAC name of 5-(trifluoromethyl)-3H-pyridin-2-one (CID 56995478) is 5-(trifluoromethyl)-3H-pyridin-2-one.
What is the SMILES notation for 5-(trifluoromethyl)-3H-pyridin-2-one?
The canonical SMILES for 5-(trifluoromethyl)-3H-pyridin-2-one is O=C1CC=C(C(F)(F)F)C=N1.
What is the InChIKey of 5-(trifluoromethyl)-3H-pyridin-2-one?
The InChIKey is ZUWWPUHZKOEWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NO/c7-6(8,9)4-1-2-5(11)10-3-4/h1,3H,2H2.
What are the key properties of 5-(trifluoromethyl)-3H-pyridin-2-one?
5-(trifluoromethyl)-3H-pyridin-2-one has a molecular weight of 163.10 g/mol, XLogP of 1.48, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-3H-pyridin-2-one is sourced from PubChem (CID 56995478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).