1-(3-methylphenyl)-5-(trifluoromethyl)pyridin-2-one

C13H10F3NO — CID 25093743

IUPAC1-(3-methylphenyl)-5-(trifluoromethyl)pyridin-2-one
SMILESCc1cccc(-n2cc(C(F)(F)F)ccc2=O)c1
InChIInChI=1S/C13H10F3NO/c1-9-3-2-4-11(7-9)17-8-10(13(14,15)16)5-6-12(17)18/h2-8H,1H3
InChIKeyRHUVGKPYVANTCF-UHFFFAOYSA-N
MW253.22 g/mol
LogP3.16
Rot. Bonds1

About 1-(3-methylphenyl)-5-(trifluoromethyl)pyridin-2-one

1-(3-methylphenyl)-5-(trifluoromethyl)pyridin-2-one (PubChem CID 25093743) has the molecular formula C13H10F3NO and a molecular weight of 253.22 g/mol. Its IUPAC name is 1-(3-methylphenyl)-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(3-methylphenyl)-5-(trifluoromethyl)pyridin-2-one
PubChem CID25093743
Molecular FormulaC13H10F3NO
Molecular Weight253.22 g/mol
Exact Mass253.07
IUPAC Name1-(3-methylphenyl)-5-(trifluoromethyl)pyridin-2-one
SMILESCc1cccc(-n2cc(C(F)(F)F)ccc2=O)c1
InChIInChI=1S/C13H10F3NO/c1-9-3-2-4-11(7-9)17-8-10(13(14,15)16)5-6-12(17)18/h2-8H,1H3
InChIKeyRHUVGKPYVANTCF-UHFFFAOYSA-N
XLogP3.16
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(aminomethyl)phenyl]-5-(trifluoromethyl)pyridin-2-one
CID 151308963
5-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyridin-2-one
CID 58016522
(3S,4S)-3-amino-1-(3-methylphenyl)-4-[4-(trifluoromethyl)phenyl]azetidin-2-one
CID 124503570
5-(1,3-benzodioxol-5-yl)-1-(3-methylphenyl)pyridin-2-one
CID 58051460
3-amino-1-(3-methylphenyl)-4-[4-(trifluoromethyl)phenyl]azetidin-2-one
CID 102536933
5-(4-methylperoxysulfanylphenyl)-1-(3-methylphenyl)pyridin-2-one
CID 91577198
N,N-dimethyl-3-[1-(3-methylphenyl)-6-oxo-3-pyridinyl]benzenesulfonamide
CID 58051455
4-(2-methylphenyl)-1-(3-methylphenyl)-2-(trifluoromethyl)pyrrole-3-carboxylic acid
CID 174799731
4-methyl-1-phenyl-2-(trifluoromethyl)pyrrole
CID 123412423
1-methyl-2-(3-methylphenyl)pyridazine-3,6-dione
CID 13027273
3-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-one
CID 18439300
5-methyl-1-[3-(trifluoromethyl)phenyl]pyridine-2-thione
CID 18439312

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-(3-methylphenyl)-5-(trifluoromethyl)pyridin-2-one (CID 25093743) is 1-(3-methylphenyl)-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-(3-methylphenyl)-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-(3-methylphenyl)-5-(trifluoromethyl)pyridin-2-one is Cc1cccc(-n2cc(C(F)(F)F)ccc2=O)c1.
What is the InChIKey of 1-(3-methylphenyl)-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is RHUVGKPYVANTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO/c1-9-3-2-4-11(7-9)17-8-10(13(14,15)16)5-6-12(17)18/h2-8H,1H3.
What are the key properties of 1-(3-methylphenyl)-5-(trifluoromethyl)pyridin-2-one?
1-(3-methylphenyl)-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 253.22 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 25093743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).