5-(6-oxo-1H-pyridin-3-yl)-6-(trifluoromethyl)-1H-pyridin-2-one

C11H7F3N2O2 — CID 68524641

IUPAC5-(6-oxo-1H-pyridin-3-yl)-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1ccc(-c2ccc(=O)[nH]c2C(F)(F)F)c[nH]1
InChIInChI=1S/C11H7F3N2O2/c12-11(13,14)10-7(2-4-9(18)16-10)6-1-3-8(17)15-5-6/h1-5H,(H,15,17)(H,16,18)
InChIKeyOQUZMYOVGREKPJ-UHFFFAOYSA-N
MW256.18 g/mol
LogP1.75
Rot. Bonds1

About 5-(6-oxo-1H-pyridin-3-yl)-6-(trifluoromethyl)-1H-pyridin-2-one

5-(6-oxo-1H-pyridin-3-yl)-6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 68524641) has the molecular formula C11H7F3N2O2 and a molecular weight of 256.18 g/mol. Its IUPAC name is 5-(6-oxo-1H-pyridin-3-yl)-6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(6-oxo-1H-pyridin-3-yl)-6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID68524641
Molecular FormulaC11H7F3N2O2
Molecular Weight256.18 g/mol
Exact Mass256.05
IUPAC Name5-(6-oxo-1H-pyridin-3-yl)-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1ccc(-c2ccc(=O)[nH]c2C(F)(F)F)c[nH]1
InChIInChI=1S/C11H7F3N2O2/c12-11(13,14)10-7(2-4-9(18)16-10)6-1-3-8(17)15-5-6/h1-5H,(H,15,17)(H,16,18)
InChIKeyOQUZMYOVGREKPJ-UHFFFAOYSA-N
XLogP1.75
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.18
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(6-oxo-1H-pyridin-3-yl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 5-(6-oxo-1H-pyridin-3-yl)-6-(trifluoromethyl)-1H-pyridin-2-one (CID 68524641) is 5-(6-oxo-1H-pyridin-3-yl)-6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(6-oxo-1H-pyridin-3-yl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-(6-oxo-1H-pyridin-3-yl)-6-(trifluoromethyl)-1H-pyridin-2-one is O=c1ccc(-c2ccc(=O)[nH]c2C(F)(F)F)c[nH]1.
What is the InChIKey of 5-(6-oxo-1H-pyridin-3-yl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is OQUZMYOVGREKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O2/c12-11(13,14)10-7(2-4-9(18)16-10)6-1-3-8(17)15-5-6/h1-5H,(H,15,17)(H,16,18).
What are the key properties of 5-(6-oxo-1H-pyridin-3-yl)-6-(trifluoromethyl)-1H-pyridin-2-one?
5-(6-oxo-1H-pyridin-3-yl)-6-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 256.18 g/mol, XLogP of 1.75, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-oxo-1H-pyridin-3-yl)-6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 68524641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).