6-methyl-3,5-bis[2-(trifluoromethoxy)phenyl]-1H-pyridin-2-one

C20H13F6NO3 — CID 133091442

IUPAC6-methyl-3,5-bis[2-(trifluoromethoxy)phenyl]-1H-pyridin-2-one
SMILESCc1[nH]c(=O)c(-c2ccccc2OC(F)(F)F)cc1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C20H13F6NO3/c1-11-14(12-6-2-4-8-16(12)29-19(21,22)23)10-15(18(28)27-11)13-7-3-5-9-17(13)30-20(24,25)26/h2-10H,1H3,(H,27,28)
InChIKeyYEJLQZTYQCGBTM-UHFFFAOYSA-N
MW429.32 g/mol
LogP5.81
Rot. Bonds4

About 6-methyl-3,5-bis[2-(trifluoromethoxy)phenyl]-1H-pyridin-2-one

6-methyl-3,5-bis[2-(trifluoromethoxy)phenyl]-1H-pyridin-2-one (PubChem CID 133091442) has the molecular formula C20H13F6NO3 and a molecular weight of 429.32 g/mol. Its IUPAC name is 6-methyl-3,5-bis[2-(trifluoromethoxy)phenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-methyl-3,5-bis[2-(trifluoromethoxy)phenyl]-1H-pyridin-2-one
PubChem CID133091442
Molecular FormulaC20H13F6NO3
Molecular Weight429.32 g/mol
Exact Mass429.08
IUPAC Name6-methyl-3,5-bis[2-(trifluoromethoxy)phenyl]-1H-pyridin-2-one
SMILESCc1[nH]c(=O)c(-c2ccccc2OC(F)(F)F)cc1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C20H13F6NO3/c1-11-14(12-6-2-4-8-16(12)29-19(21,22)23)10-15(18(28)27-11)13-7-3-5-9-17(13)30-20(24,25)26/h2-10H,1H3,(H,27,28)
InChIKeyYEJLQZTYQCGBTM-UHFFFAOYSA-N
XLogP5.81
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.32
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-3-[2-(trifluoromethoxy)phenyl]-1H-pyridin-2-one
CID 133091598
3-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridin-2-one
CID 133091691
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
2-methyl-3-[2-(trifluoromethoxy)phenyl]-1H-pyridin-4-one
CID 133091499
5-amino-6-[2-(trifluoromethoxy)phenyl]-1,3-dihydrobenzimidazol-2-one
CID 16768729
2,6-dimethyl-3-[4-oxo-6-[2-(trifluoromethoxy)phenyl]-1H-pyridin-3-yl]-1H-pyridin-4-one
CID 69347693
3,3,5-trimethyl-6-[2-(trifluoromethoxy)phenyl]-1H-indol-2-one
CID 141077826
5-ethyl-4-methyl-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one
CID 135996623
1-methyl-3-[2-(trifluoromethoxy)phenyl]benzene
CID 69482191
1-[2-[2-(trifluoromethoxy)phenyl]phenyl]ethanone
CID 16768650
5-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-1H-pyridin-2-one
CID 133091706
2-[2-(trifluoromethoxy)phenyl]-1H-quinolin-4-one
CID 169257027

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3,5-bis[2-(trifluoromethoxy)phenyl]-1H-pyridin-2-one?
The IUPAC name of 6-methyl-3,5-bis[2-(trifluoromethoxy)phenyl]-1H-pyridin-2-one (CID 133091442) is 6-methyl-3,5-bis[2-(trifluoromethoxy)phenyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-methyl-3,5-bis[2-(trifluoromethoxy)phenyl]-1H-pyridin-2-one?
The canonical SMILES for 6-methyl-3,5-bis[2-(trifluoromethoxy)phenyl]-1H-pyridin-2-one is Cc1[nH]c(=O)c(-c2ccccc2OC(F)(F)F)cc1-c1ccccc1OC(F)(F)F.
What is the InChIKey of 6-methyl-3,5-bis[2-(trifluoromethoxy)phenyl]-1H-pyridin-2-one?
The InChIKey is YEJLQZTYQCGBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F6NO3/c1-11-14(12-6-2-4-8-16(12)29-19(21,22)23)10-15(18(28)27-11)13-7-3-5-9-17(13)30-20(24,25)26/h2-10H,1H3,(H,27,28).
What are the key properties of 6-methyl-3,5-bis[2-(trifluoromethoxy)phenyl]-1H-pyridin-2-one?
6-methyl-3,5-bis[2-(trifluoromethoxy)phenyl]-1H-pyridin-2-one has a molecular weight of 429.32 g/mol, XLogP of 5.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3,5-bis[2-(trifluoromethoxy)phenyl]-1H-pyridin-2-one is sourced from PubChem (CID 133091442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).