6-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)-1H-pyridin-2-one

C11H6F4N2O — CID 106515766

IUPAC6-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(C(F)(F)F)cc(-c2cncc(F)c2)[nH]1
InChIInChI=1S/C11H6F4N2O/c12-8-1-6(4-16-5-8)9-2-7(11(13,14)15)3-10(18)17-9/h1-5H,(H,17,18)
InChIKeySEJIQIXYOVLBRS-UHFFFAOYSA-N
MW258.17 g/mol
LogP2.59
Rot. Bonds1

About 6-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)-1H-pyridin-2-one

6-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 106515766) has the molecular formula C11H6F4N2O and a molecular weight of 258.17 g/mol. Its IUPAC name is 6-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID106515766
Molecular FormulaC11H6F4N2O
Molecular Weight258.17 g/mol
Exact Mass258.04
IUPAC Name6-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(C(F)(F)F)cc(-c2cncc(F)c2)[nH]1
InChIInChI=1S/C11H6F4N2O/c12-8-1-6(4-16-5-8)9-2-7(11(13,14)15)3-10(18)17-9/h1-5H,(H,17,18)
InChIKeySEJIQIXYOVLBRS-UHFFFAOYSA-N
XLogP2.59
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.17
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-pyrimidin-5-yl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106516207
6-pyridin-4-yl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106515496
6-(3,5-dimethylphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106513664
6-(3,4-difluorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106516941
4-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136802824
6-(4-methylphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 15326046
6-(2,5-difluorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106517237
6-(4-ethylphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106516381
6-(3-nitrophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106515706
2-(5-fluoro-3-pyridinyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 104786107
4-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-one
CID 106516768
3-(5-fluoro-3-pyridinyl)-1H-pyridazin-6-one
CID 106515794

Frequently Asked Questions

What is the IUPAC name of 6-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 6-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)-1H-pyridin-2-one (CID 106515766) is 6-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)-1H-pyridin-2-one is O=c1cc(C(F)(F)F)cc(-c2cncc(F)c2)[nH]1.
What is the InChIKey of 6-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is SEJIQIXYOVLBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F4N2O/c12-8-1-6(4-16-5-8)9-2-7(11(13,14)15)3-10(18)17-9/h1-5H,(H,17,18).
What are the key properties of 6-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
6-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 258.17 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 106515766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).