3-[3-(trifluoromethoxy)phenyl]-1H-pyridin-4-one

C12H8F3NO2 — CID 133091648

IUPAC3-[3-(trifluoromethoxy)phenyl]-1H-pyridin-4-one
SMILESO=c1cc[nH]cc1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C12H8F3NO2/c13-12(14,15)18-9-3-1-2-8(6-9)10-7-16-5-4-11(10)17/h1-7H,(H,16,17)
InChIKeyLAYGTMGFQKZIPC-UHFFFAOYSA-N
MW255.20 g/mol
LogP2.94
Rot. Bonds2

About 3-[3-(trifluoromethoxy)phenyl]-1H-pyridin-4-one

3-[3-(trifluoromethoxy)phenyl]-1H-pyridin-4-one (PubChem CID 133091648) has the molecular formula C12H8F3NO2 and a molecular weight of 255.20 g/mol. Its IUPAC name is 3-[3-(trifluoromethoxy)phenyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name3-[3-(trifluoromethoxy)phenyl]-1H-pyridin-4-one
PubChem CID133091648
Molecular FormulaC12H8F3NO2
Molecular Weight255.20 g/mol
Exact Mass255.05
IUPAC Name3-[3-(trifluoromethoxy)phenyl]-1H-pyridin-4-one
SMILESO=c1cc[nH]cc1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C12H8F3NO2/c13-12(14,15)18-9-3-1-2-8(6-9)10-7-16-5-4-11(10)17/h1-7H,(H,16,17)
InChIKeyLAYGTMGFQKZIPC-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

3-chloro-5-[3-(trifluoromethoxy)phenyl]-1H-pyridin-4-one
CID 133091466
5-(hydroxymethyl)-3-[3-(trifluoromethoxy)phenyl]-1H-pyridin-2-one
CID 133091674
1-fluoro-4-(trifluoromethoxy)-2-[3-(trifluoromethoxy)phenyl]benzene
CID 134629043
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
7-[3-(trifluoromethoxy)phenyl]-1H-indole
CID 59107903
1,2-difluoro-3-[3-(trifluoromethoxy)phenyl]benzene
CID 22355337
1,2,4-trichloro-5-[3-(trifluoromethoxy)phenyl]benzene
CID 118994485
1-methyl-2-[3-(trifluoromethoxy)phenyl]benzene
CID 18715807
1-[2-methyl-4-[3-(trifluoromethoxy)phenyl]-1H-pyrrol-3-yl]ethanone
CID 154688990
1,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]benzene
CID 57085724
4-methyl-2,6-bis[3-(trifluoromethoxy)phenyl]aniline
CID 23628482
3-methyl-4-[3-(trifluoromethoxy)phenyl]thiophene
CID 145460723

Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethoxy)phenyl]-1H-pyridin-4-one?
The IUPAC name of 3-[3-(trifluoromethoxy)phenyl]-1H-pyridin-4-one (CID 133091648) is 3-[3-(trifluoromethoxy)phenyl]-1H-pyridin-4-one.
What is the SMILES notation for 3-[3-(trifluoromethoxy)phenyl]-1H-pyridin-4-one?
The canonical SMILES for 3-[3-(trifluoromethoxy)phenyl]-1H-pyridin-4-one is O=c1cc[nH]cc1-c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 3-[3-(trifluoromethoxy)phenyl]-1H-pyridin-4-one?
The InChIKey is LAYGTMGFQKZIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO2/c13-12(14,15)18-9-3-1-2-8(6-9)10-7-16-5-4-11(10)17/h1-7H,(H,16,17).
What are the key properties of 3-[3-(trifluoromethoxy)phenyl]-1H-pyridin-4-one?
3-[3-(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 3-[3-(trifluoromethoxy)phenyl]-1H-pyridin-4-one is sourced from PubChem (CID 133091648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).