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

C13H10F3NO — CID 133091914

IUPAC6-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyridin-2-one
SMILESCc1ccc(-c2ccc(C(F)(F)F)cc2)c(=O)[nH]1
InChIInChI=1S/C13H10F3NO/c1-8-2-7-11(12(18)17-8)9-3-5-10(6-4-9)13(14,15)16/h2-7H,1H3,(H,17,18)
InChIKeyAWGABUCBMMPSNO-UHFFFAOYSA-N
MW253.22 g/mol
LogP3.37
Rot. Bonds1

About 6-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyridin-2-one

6-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyridin-2-one (PubChem CID 133091914) has the molecular formula C13H10F3NO and a molecular weight of 253.22 g/mol. Its IUPAC name is 6-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyridin-2-one
PubChem CID133091914
Molecular FormulaC13H10F3NO
Molecular Weight253.22 g/mol
Exact Mass253.07
IUPAC Name6-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyridin-2-one
SMILESCc1ccc(-c2ccc(C(F)(F)F)cc2)c(=O)[nH]1
InChIInChI=1S/C13H10F3NO/c1-8-2-7-11(12(18)17-8)9-3-5-10(6-4-9)13(14,15)16/h2-7H,1H3,(H,17,18)
InChIKeyAWGABUCBMMPSNO-UHFFFAOYSA-N
XLogP3.37
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-methyl-3-(trifluoromethyl)-1H-pyridin-2-one
CID 20767670
6-methyl-2-oxo-4-[2-[4-(trifluoromethyl)phenyl]phenyl]-1H-pyridine-3-carbonitrile
CID 168585170
3-(3,4-dichlorophenyl)-6-methyl-1H-pyridin-2-one
CID 133092861
4,5-dimethyl-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 135966488
6-oxo-3-[4-(trifluoromethyl)phenyl]-1H-pyridine-2-carboxylic acid
CID 133091974
1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene
CID 59630308
6-methyl-3-[2-(trifluoromethoxy)phenyl]-1H-pyridin-2-one
CID 133091598
2,3-dichloro-1-methyl-4-[4-(trifluoromethyl)phenyl]benzene
CID 171367983
5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-pyrazole
CID 121379891
3,6-dimethyl-4-[4-(trifluoromethyl)phenyl]pyran-2-one
CID 25189233
5-methyl-1-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
CID 137353586
1-methyl-4-(trifluoromethyl)benzene bromide
CID 158317252

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyridin-2-one?
The IUPAC name of 6-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyridin-2-one (CID 133091914) is 6-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyridin-2-one?
The canonical SMILES for 6-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyridin-2-one is Cc1ccc(-c2ccc(C(F)(F)F)cc2)c(=O)[nH]1.
What is the InChIKey of 6-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyridin-2-one?
The InChIKey is AWGABUCBMMPSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO/c1-8-2-7-11(12(18)17-8)9-3-5-10(6-4-9)13(14,15)16/h2-7H,1H3,(H,17,18).
What are the key properties of 6-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyridin-2-one?
6-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyridin-2-one has a molecular weight of 253.22 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyridin-2-one is sourced from PubChem (CID 133091914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).