6-(3,5-dimethylphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one

C14H12F3NO — CID 106513664

IUPAC6-(3,5-dimethylphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESCc1cc(C)cc(-c2cc(C(F)(F)F)cc(=O)[nH]2)c1
InChIInChI=1S/C14H12F3NO/c1-8-3-9(2)5-10(4-8)12-6-11(14(15,16)17)7-13(19)18-12/h3-7H,1-2H3,(H,18,19)
InChIKeyAKNGRHRJUIFZFA-UHFFFAOYSA-N
MW267.25 g/mol
LogP3.68
Rot. Bonds1

About 6-(3,5-dimethylphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one

6-(3,5-dimethylphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 106513664) has the molecular formula C14H12F3NO and a molecular weight of 267.25 g/mol. Its IUPAC name is 6-(3,5-dimethylphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(3,5-dimethylphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID106513664
Molecular FormulaC14H12F3NO
Molecular Weight267.25 g/mol
Exact Mass267.09
IUPAC Name6-(3,5-dimethylphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESCc1cc(C)cc(-c2cc(C(F)(F)F)cc(=O)[nH]2)c1
InChIInChI=1S/C14H12F3NO/c1-8-3-9(2)5-10(4-8)12-6-11(14(15,16)17)7-13(19)18-12/h3-7H,1-2H3,(H,18,19)
InChIKeyAKNGRHRJUIFZFA-UHFFFAOYSA-N
XLogP3.68
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-(4-methylphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 15326046
6-pyridin-4-yl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106515496
6-pyrimidin-5-yl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106516207
6-(4-ethylphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106516381
6-(3,4-difluorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106516941
6-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106515766
6-(3-ethoxyphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106519859
1,3-dimethyl-5-(trifluoromethyl)benzene;ethane
CID 143497301
6-(3-nitrophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106515706
4-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-one
CID 106516768
6-(2,5-difluorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106517237
6-(methylamino)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 102719756

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 6-(3,5-dimethylphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one (CID 106513664) is 6-(3,5-dimethylphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(3,5-dimethylphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-(3,5-dimethylphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one is Cc1cc(C)cc(-c2cc(C(F)(F)F)cc(=O)[nH]2)c1.
What is the InChIKey of 6-(3,5-dimethylphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is AKNGRHRJUIFZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO/c1-8-3-9(2)5-10(4-8)12-6-11(14(15,16)17)7-13(19)18-12/h3-7H,1-2H3,(H,18,19).
What are the key properties of 6-(3,5-dimethylphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
6-(3,5-dimethylphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 267.25 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 106513664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).