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

C13H10F3NO2 — CID 133091598

IUPAC6-methyl-3-[2-(trifluoromethoxy)phenyl]-1H-pyridin-2-one
SMILESCc1ccc(-c2ccccc2OC(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C13H10F3NO2/c1-8-6-7-10(12(18)17-8)9-4-2-3-5-11(9)19-13(14,15)16/h2-7H,1H3,(H,17,18)
InChIKeyCUSKOOPOPJQWRX-UHFFFAOYSA-N
MW269.22 g/mol
LogP3.25
Rot. Bonds2

About 6-methyl-3-[2-(trifluoromethoxy)phenyl]-1H-pyridin-2-one

6-methyl-3-[2-(trifluoromethoxy)phenyl]-1H-pyridin-2-one (PubChem CID 133091598) has the molecular formula C13H10F3NO2 and a molecular weight of 269.22 g/mol. Its IUPAC name is 6-methyl-3-[2-(trifluoromethoxy)phenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-methyl-3-[2-(trifluoromethoxy)phenyl]-1H-pyridin-2-one
PubChem CID133091598
Molecular FormulaC13H10F3NO2
Molecular Weight269.22 g/mol
Exact Mass269.07
IUPAC Name6-methyl-3-[2-(trifluoromethoxy)phenyl]-1H-pyridin-2-one
SMILESCc1ccc(-c2ccccc2OC(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C13H10F3NO2/c1-8-6-7-10(12(18)17-8)9-4-2-3-5-11(9)19-13(14,15)16/h2-7H,1H3,(H,17,18)
InChIKeyCUSKOOPOPJQWRX-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

3-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridin-2-one
CID 133091691
6-methyl-3,5-bis[2-(trifluoromethoxy)phenyl]-1H-pyridin-2-one
CID 133091442
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
5-amino-6-[2-(trifluoromethoxy)phenyl]-1,3-dihydrobenzimidazol-2-one
CID 16768729
5-ethyl-4-methyl-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one
CID 135996623
2-methyl-3-[2-(trifluoromethoxy)phenyl]-1H-pyridin-4-one
CID 133091499
1-[2-[2-(trifluoromethoxy)phenyl]phenyl]ethanone
CID 16768650
1-(trifluoromethoxy)-2-[2-(trifluoromethyl)phenyl]benzene
CID 91059190
[2-[2-(trifluoromethoxy)phenyl]phenyl]azanium
CID 147037666
3,3,5-trimethyl-6-[2-(trifluoromethoxy)phenyl]-1H-indol-2-one
CID 141077826
5-iodo-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one
CID 66313546
4-methoxy-6-[2-(trifluoromethoxy)phenyl]-1H-1,3,5-triazin-2-one
CID 106514778

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[2-(trifluoromethoxy)phenyl]-1H-pyridin-2-one?
The IUPAC name of 6-methyl-3-[2-(trifluoromethoxy)phenyl]-1H-pyridin-2-one (CID 133091598) is 6-methyl-3-[2-(trifluoromethoxy)phenyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-methyl-3-[2-(trifluoromethoxy)phenyl]-1H-pyridin-2-one?
The canonical SMILES for 6-methyl-3-[2-(trifluoromethoxy)phenyl]-1H-pyridin-2-one is Cc1ccc(-c2ccccc2OC(F)(F)F)c(=O)[nH]1.
What is the InChIKey of 6-methyl-3-[2-(trifluoromethoxy)phenyl]-1H-pyridin-2-one?
The InChIKey is CUSKOOPOPJQWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO2/c1-8-6-7-10(12(18)17-8)9-4-2-3-5-11(9)19-13(14,15)16/h2-7H,1H3,(H,17,18).
What are the key properties of 6-methyl-3-[2-(trifluoromethoxy)phenyl]-1H-pyridin-2-one?
6-methyl-3-[2-(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 6-methyl-3-[2-(trifluoromethoxy)phenyl]-1H-pyridin-2-one is sourced from PubChem (CID 133091598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).