2-[4-(trifluoromethoxy)phenyl]-1H-pyridin-4-one

C12H8F3NO2 — CID 53229611

IUPAC2-[4-(trifluoromethoxy)phenyl]-1H-pyridin-4-one
SMILESO=c1cc[nH]c(-c2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C12H8F3NO2/c13-12(14,15)18-10-3-1-8(2-4-10)11-7-9(17)5-6-16-11/h1-7H,(H,16,17)
InChIKeyBLLBEBXNOCGOSJ-UHFFFAOYSA-N
MW255.20 g/mol
LogP2.94
Rot. Bonds2

About 2-[4-(trifluoromethoxy)phenyl]-1H-pyridin-4-one

2-[4-(trifluoromethoxy)phenyl]-1H-pyridin-4-one (PubChem CID 53229611) has the molecular formula C12H8F3NO2 and a molecular weight of 255.20 g/mol. Its IUPAC name is 2-[4-(trifluoromethoxy)phenyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name2-[4-(trifluoromethoxy)phenyl]-1H-pyridin-4-one
PubChem CID53229611
Molecular FormulaC12H8F3NO2
Molecular Weight255.20 g/mol
Exact Mass255.05
IUPAC Name2-[4-(trifluoromethoxy)phenyl]-1H-pyridin-4-one
SMILESO=c1cc[nH]c(-c2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C12H8F3NO2/c13-12(14,15)18-10-3-1-8(2-4-10)11-7-9(17)5-6-16-11/h1-7H,(H,16,17)
InChIKeyBLLBEBXNOCGOSJ-UHFFFAOYSA-N
XLogP2.94
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.20
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(trifluoromethoxy)-1H-pyridin-4-one
CID 130088835
3-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-pyridin-2-one
CID 133091587
3-fluoro-5-[4-(trifluoromethoxy)phenyl]-1H-pyridin-2-one
CID 133091567
2-fluoro-1-(trifluoromethoxy)-4-[4-(trifluoromethoxy)phenyl]benzene
CID 118845597
2-[2-oxo-3-[4-(trifluoromethoxy)phenyl]-1H-pyridin-4-yl]acetic acid
CID 133091656
1-fluoro-3,5-bis[4-(trifluoromethoxy)phenyl]benzene
CID 164895353
4-[3-bromo-4-(trifluoromethoxy)phenyl]pyridine;4-[4-(trifluoromethoxy)phenyl]pyridine
CID 158192598
[3-[4-(trifluoromethoxy)phenyl]phenyl]methylazanide
CID 157271933
2,5-bis[4-(trifluoromethoxy)phenyl]benzaldehyde
CID 162538499
2-fluoro-5-[4-(trifluoromethoxy)phenyl]phenol
CID 53219695
7-(dimethylamino)-3-[4-(trifluoromethoxy)phenyl]-2H-isoquinolin-1-one
CID 143087063
5,13-bis[4-(trifluoromethoxy)phenyl]tetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene-8,16-dione
CID 102183792

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethoxy)phenyl]-1H-pyridin-4-one?
The IUPAC name of 2-[4-(trifluoromethoxy)phenyl]-1H-pyridin-4-one (CID 53229611) is 2-[4-(trifluoromethoxy)phenyl]-1H-pyridin-4-one.
What is the SMILES notation for 2-[4-(trifluoromethoxy)phenyl]-1H-pyridin-4-one?
The canonical SMILES for 2-[4-(trifluoromethoxy)phenyl]-1H-pyridin-4-one is O=c1cc[nH]c(-c2ccc(OC(F)(F)F)cc2)c1.
What is the InChIKey of 2-[4-(trifluoromethoxy)phenyl]-1H-pyridin-4-one?
The InChIKey is BLLBEBXNOCGOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO2/c13-12(14,15)18-10-3-1-8(2-4-10)11-7-9(17)5-6-16-11/h1-7H,(H,16,17).
What are the key properties of 2-[4-(trifluoromethoxy)phenyl]-1H-pyridin-4-one?
2-[4-(trifluoromethoxy)phenyl]-1H-pyridin-4-one has a molecular weight of 255.20 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethoxy)phenyl]-1H-pyridin-4-one is sourced from PubChem (CID 53229611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).