1-(2H-pyran-5-yl)-5-(trifluoromethyl)pyridin-2-one

C11H8F3NO2 — CID 25094295

IUPAC1-(2H-pyran-5-yl)-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)cn1C1=COCC=C1
InChIInChI=1S/C11H8F3NO2/c12-11(13,14)8-3-4-10(16)15(6-8)9-2-1-5-17-7-9/h1-4,6-7H,5H2
InChIKeyMIDBFMBHRUZJJO-UHFFFAOYSA-N
MW243.18 g/mol
LogP2.25
Rot. Bonds1

About 1-(2H-pyran-5-yl)-5-(trifluoromethyl)pyridin-2-one

1-(2H-pyran-5-yl)-5-(trifluoromethyl)pyridin-2-one (PubChem CID 25094295) has the molecular formula C11H8F3NO2 and a molecular weight of 243.18 g/mol. Its IUPAC name is 1-(2H-pyran-5-yl)-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(2H-pyran-5-yl)-5-(trifluoromethyl)pyridin-2-one
PubChem CID25094295
Molecular FormulaC11H8F3NO2
Molecular Weight243.18 g/mol
Exact Mass243.05
IUPAC Name1-(2H-pyran-5-yl)-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)cn1C1=COCC=C1
InChIInChI=1S/C11H8F3NO2/c12-11(13,14)8-3-4-10(16)15(6-8)9-2-1-5-17-7-9/h1-4,6-7H,5H2
InChIKeyMIDBFMBHRUZJJO-UHFFFAOYSA-N
XLogP2.25
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.18
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2H-pyran-5-yl)-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-(2H-pyran-5-yl)-5-(trifluoromethyl)pyridin-2-one (CID 25094295) is 1-(2H-pyran-5-yl)-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-(2H-pyran-5-yl)-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-(2H-pyran-5-yl)-5-(trifluoromethyl)pyridin-2-one is O=c1ccc(C(F)(F)F)cn1C1=COCC=C1.
What is the InChIKey of 1-(2H-pyran-5-yl)-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is MIDBFMBHRUZJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO2/c12-11(13,14)8-3-4-10(16)15(6-8)9-2-1-5-17-7-9/h1-4,6-7H,5H2.
What are the key properties of 1-(2H-pyran-5-yl)-5-(trifluoromethyl)pyridin-2-one?
1-(2H-pyran-5-yl)-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 243.18 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-pyran-5-yl)-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 25094295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).