4-[3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]-1H-pyridin-2-one

C11H9F3N2O — CID 69047390

IUPAC4-[3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]-1H-pyridin-2-one
SMILESO=c1cc(C2=CC=C(C(F)(F)F)CN2)cc[nH]1
InChIInChI=1S/C11H9F3N2O/c12-11(13,14)8-1-2-9(16-6-8)7-3-4-15-10(17)5-7/h1-5,16H,6H2,(H,15,17)
InChIKeyHIWQLIVKENHKOY-UHFFFAOYSA-N
MW242.20 g/mol
LogP1.81
Rot. Bonds1

About 4-[3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]-1H-pyridin-2-one

4-[3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]-1H-pyridin-2-one (PubChem CID 69047390) has the molecular formula C11H9F3N2O and a molecular weight of 242.20 g/mol. Its IUPAC name is 4-[3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]-1H-pyridin-2-one
PubChem CID69047390
Molecular FormulaC11H9F3N2O
Molecular Weight242.20 g/mol
Exact Mass242.07
IUPAC Name4-[3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]-1H-pyridin-2-one
SMILESO=c1cc(C2=CC=C(C(F)(F)F)CN2)cc[nH]1
InChIInChI=1S/C11H9F3N2O/c12-11(13,14)8-1-2-9(16-6-8)7-3-4-15-10(17)5-7/h1-5,16H,6H2,(H,15,17)
InChIKeyHIWQLIVKENHKOY-UHFFFAOYSA-N
XLogP1.81
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]-1H-pyridin-2-one (CID 69047390) is 4-[3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]-1H-pyridin-2-one is O=c1cc(C2=CC=C(C(F)(F)F)CN2)cc[nH]1.
What is the InChIKey of 4-[3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]-1H-pyridin-2-one?
The InChIKey is HIWQLIVKENHKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O/c12-11(13,14)8-1-2-9(16-6-8)7-3-4-15-10(17)5-7/h1-5,16H,6H2,(H,15,17).
What are the key properties of 4-[3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]-1H-pyridin-2-one?
4-[3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]-1H-pyridin-2-one has a molecular weight of 242.20 g/mol, XLogP of 1.81, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]-1H-pyridin-2-one is sourced from PubChem (CID 69047390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).