6-pyridin-4-yl-4-(trifluoromethyl)-1H-pyridin-2-one

C11H7F3N2O — CID 106515496

IUPAC6-pyridin-4-yl-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(C(F)(F)F)cc(-c2ccncc2)[nH]1
InChIInChI=1S/C11H7F3N2O/c12-11(13,14)8-5-9(16-10(17)6-8)7-1-3-15-4-2-7/h1-6H,(H,16,17)
InChIKeyOITCVVDXWJBVAR-UHFFFAOYSA-N
MW240.18 g/mol
LogP2.46
Rot. Bonds1

About 6-pyridin-4-yl-4-(trifluoromethyl)-1H-pyridin-2-one

6-pyridin-4-yl-4-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 106515496) has the molecular formula C11H7F3N2O and a molecular weight of 240.18 g/mol. Its IUPAC name is 6-pyridin-4-yl-4-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-pyridin-4-yl-4-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID106515496
Molecular FormulaC11H7F3N2O
Molecular Weight240.18 g/mol
Exact Mass240.05
IUPAC Name6-pyridin-4-yl-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(C(F)(F)F)cc(-c2ccncc2)[nH]1
InChIInChI=1S/C11H7F3N2O/c12-11(13,14)8-5-9(16-10(17)6-8)7-1-3-15-4-2-7/h1-6H,(H,16,17)
InChIKeyOITCVVDXWJBVAR-UHFFFAOYSA-N
XLogP2.46
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.18
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(4-methylphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 15326046
6-pyrimidin-5-yl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106516207
6-(4-ethylphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106516381
6-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106515766
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-pyridin-4-yl-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 139891889
6-(3-nitrophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106515706
4-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-one
CID 106516768
6-(2,5-difluorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106517237
6-(3-ethoxyphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106519859
4-pyridin-4-yl-2-[[4-(trifluoromethyl)phenyl]methylamino]-1H-pyrimidin-6-one
CID 135484464

Frequently Asked Questions

What is the IUPAC name of 6-pyridin-4-yl-4-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 6-pyridin-4-yl-4-(trifluoromethyl)-1H-pyridin-2-one (CID 106515496) is 6-pyridin-4-yl-4-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-pyridin-4-yl-4-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-pyridin-4-yl-4-(trifluoromethyl)-1H-pyridin-2-one is O=c1cc(C(F)(F)F)cc(-c2ccncc2)[nH]1.
What is the InChIKey of 6-pyridin-4-yl-4-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is OITCVVDXWJBVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O/c12-11(13,14)8-5-9(16-10(17)6-8)7-1-3-15-4-2-7/h1-6H,(H,16,17).
What are the key properties of 6-pyridin-4-yl-4-(trifluoromethyl)-1H-pyridin-2-one?
6-pyridin-4-yl-4-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 240.18 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-4-yl-4-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 106515496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).