3-(4-chloro-2-fluoro-5-methylphenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one

C14H10ClF4NO — CID 15457188

IUPAC3-(4-chloro-2-fluoro-5-methylphenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one
SMILESCc1cc(-c2ccc(C(F)(F)F)n(C)c2=O)c(F)cc1Cl
InChIInChI=1S/C14H10ClF4NO/c1-7-5-9(11(16)6-10(7)15)8-3-4-12(14(17,18)19)20(2)13(8)21/h3-6H,1-2H3
InChIKeyBSFJRQLGJNLZCK-UHFFFAOYSA-N
MW319.69 g/mol
LogP4.17
Rot. Bonds1

About 3-(4-chloro-2-fluoro-5-methylphenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one

3-(4-chloro-2-fluoro-5-methylphenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one (PubChem CID 15457188) has the molecular formula C14H10ClF4NO and a molecular weight of 319.69 g/mol. Its IUPAC name is 3-(4-chloro-2-fluoro-5-methylphenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name3-(4-chloro-2-fluoro-5-methylphenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one
PubChem CID15457188
Molecular FormulaC14H10ClF4NO
Molecular Weight319.69 g/mol
Exact Mass319.04
IUPAC Name3-(4-chloro-2-fluoro-5-methylphenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one
SMILESCc1cc(-c2ccc(C(F)(F)F)n(C)c2=O)c(F)cc1Cl
InChIInChI=1S/C14H10ClF4NO/c1-7-5-9(11(16)6-10(7)15)8-3-4-12(14(17,18)19)20(2)13(8)21/h3-6H,1-2H3
InChIKeyBSFJRQLGJNLZCK-UHFFFAOYSA-N
XLogP4.17
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.69
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-acetyl-6-[4-chloro-3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indolizin-5-one
CID 60157068
3-(4-chloro-2-fluorophenyl)-1-methyl-6-trifluoromethyl-2(1H)-pyridone
CID 15457048
3-(2,4-dichlorophenyl)-1-difluoromethyl-6-methyl-2(1H)-pyridone
CID 15457049
3-(4-chloro-2-fluoro-5-mercaptophenyl)-1-methyl-6-trifluoromethyl-2(1H)-pyridone
CID 15457060
3-(4-chloro-2-fluoro-5-bromomethylphenyl)-1-methyl-6-trifluoromethyl-2(1H)-pyridone
CID 15457065
2-Chloro-4-fluoro-5-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]benzaldehyde
CID 15457066
2-Chloro-4-fluoro-5-[1-methyl-2-oxo-6-(trifluoromethyl)pyridin-3-yl]benzonitrile
CID 15457067
3-[4-chloro-2-fluoro-5-(1-oxobutyl)phenyl]-1-methyl-6-trifluoromethyl-2(1H)-pyridone
CID 15457072
Ethyl 2-chloro-3-[2-chloro-4-fluoro-5-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]phenyl]propanoate
CID 15457074
3-(4-Chlorophenyl)-2,4-dioxo-1-methyl-6-trifluoromethyl-1,2,3,4-tetrahydropyridine
CID 18408327
3-(4-chlorophenyl)-4-chloro-1-methyl-6-trifluoromethyl-2(1H)-pyridone
CID 18408343
3-(4-chlorophenyl)-4-fluoro-1-methyl-6-trifluoromethyl-2(1H)-pyridone
CID 18408346

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-fluoro-5-methylphenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 3-(4-chloro-2-fluoro-5-methylphenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one (CID 15457188) is 3-(4-chloro-2-fluoro-5-methylphenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 3-(4-chloro-2-fluoro-5-methylphenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 3-(4-chloro-2-fluoro-5-methylphenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one is Cc1cc(-c2ccc(C(F)(F)F)n(C)c2=O)c(F)cc1Cl.
What is the InChIKey of 3-(4-chloro-2-fluoro-5-methylphenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is BSFJRQLGJNLZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF4NO/c1-7-5-9(11(16)6-10(7)15)8-3-4-12(14(17,18)19)20(2)13(8)21/h3-6H,1-2H3.
What are the key properties of 3-(4-chloro-2-fluoro-5-methylphenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one?
3-(4-chloro-2-fluoro-5-methylphenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 319.69 g/mol, XLogP of 4.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-fluoro-5-methylphenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 15457188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).