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

C13H10F3NO2 — CID 133091587

IUPAC3-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-pyridin-2-one
SMILESCc1c(-c2ccc(OC(F)(F)F)cc2)cc[nH]c1=O
InChIInChI=1S/C13H10F3NO2/c1-8-11(6-7-17-12(8)18)9-2-4-10(5-3-9)19-13(14,15)16/h2-7H,1H3,(H,17,18)
InChIKeyREDDUSUYDQABMZ-UHFFFAOYSA-N
MW269.22 g/mol
LogP3.25
Rot. Bonds2

About 3-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-pyridin-2-one

3-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-pyridin-2-one (PubChem CID 133091587) has the molecular formula C13H10F3NO2 and a molecular weight of 269.22 g/mol. Its IUPAC name is 3-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-pyridin-2-one
PubChem CID133091587
Molecular FormulaC13H10F3NO2
Molecular Weight269.22 g/mol
Exact Mass269.07
IUPAC Name3-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-pyridin-2-one
SMILESCc1c(-c2ccc(OC(F)(F)F)cc2)cc[nH]c1=O
InChIInChI=1S/C13H10F3NO2/c1-8-11(6-7-17-12(8)18)9-2-4-10(5-3-9)19-13(14,15)16/h2-7H,1H3,(H,17,18)
InChIKeyREDDUSUYDQABMZ-UHFFFAOYSA-N
XLogP3.25
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.22
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(trifluoromethoxy)phenyl]-1H-pyridin-4-one
CID 53229611
3-amino-6-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-pyridin-2-one
CID 168825593
2-[2-oxo-3-[4-(trifluoromethoxy)phenyl]-1H-pyridin-4-yl]acetic acid
CID 133091656
methane;1-methyl-4-(trifluoromethoxy)benzene
CID 160675977
3-fluoro-5-[4-(trifluoromethoxy)phenyl]-1H-pyridin-2-one
CID 133091567
methanamine;1-methyl-4-(trifluoromethoxy)benzene
CID 142968815
ethane;1-fluoro-4-methylbenzene;1-methyl-4-(trifluoromethoxy)benzene
CID 144678762
1-(4-ethylphenyl)-2,3-difluoro-4-[4-(trifluoromethoxy)phenyl]benzene
CID 70388417
3-methyl-4-[4-(trifluoromethoxy)phenyl]aniline
CID 54912465
1-[4-methyl-3-[4-(trifluoromethoxy)phenyl]phenyl]ethanone
CID 172649659
1-(trifluoromethoxy)-2-[4-(trifluoromethoxy)phenyl]benzene
CID 90959680
2-[4-(trifluoromethoxy)phenyl]phenol
CID 23225048

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-pyridin-2-one?
The IUPAC name of 3-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-pyridin-2-one (CID 133091587) is 3-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-pyridin-2-one?
The canonical SMILES for 3-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-pyridin-2-one is Cc1c(-c2ccc(OC(F)(F)F)cc2)cc[nH]c1=O.
What is the InChIKey of 3-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-pyridin-2-one?
The InChIKey is REDDUSUYDQABMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO2/c1-8-11(6-7-17-12(8)18)9-2-4-10(5-3-9)19-13(14,15)16/h2-7H,1H3,(H,17,18).
What are the key properties of 3-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-pyridin-2-one?
3-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-pyridin-2-one has a molecular weight of 269.22 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-pyridin-2-one is sourced from PubChem (CID 133091587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).