3-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-1H-pyridin-4-one

C13H9ClF3NO — CID 159101500

IUPAC3-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-1H-pyridin-4-one
SMILESCc1c[nH]cc(-c2ccc(Cl)c(C(F)(F)F)c2)c1=O
InChIInChI=1S/C13H9ClF3NO/c1-7-5-18-6-9(12(7)19)8-2-3-11(14)10(4-8)13(15,16)17/h2-6H,1H3,(H,18,19)
InChIKeyKDINTWOBUCLAHN-UHFFFAOYSA-N
MW287.67 g/mol
LogP4.02
Rot. Bonds1

About 3-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-1H-pyridin-4-one

3-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-1H-pyridin-4-one (PubChem CID 159101500) has the molecular formula C13H9ClF3NO and a molecular weight of 287.67 g/mol. Its IUPAC name is 3-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name3-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-1H-pyridin-4-one
PubChem CID159101500
Molecular FormulaC13H9ClF3NO
Molecular Weight287.67 g/mol
Exact Mass287.03
IUPAC Name3-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-1H-pyridin-4-one
SMILESCc1c[nH]cc(-c2ccc(Cl)c(C(F)(F)F)c2)c1=O
InChIInChI=1S/C13H9ClF3NO/c1-7-5-18-6-9(12(7)19)8-2-3-11(14)10(4-8)13(15,16)17/h2-6H,1H3,(H,18,19)
InChIKeyKDINTWOBUCLAHN-UHFFFAOYSA-N
XLogP4.02
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.67
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-chlorophenyl)-1H-pyridin-4-one
CID 4785618
3-(4-Chlorophenyl)-4-(dimethylamino)but-3-en-2-one
CID 4785622
3-Chloro-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one
CID 12485518
3-(4-chlorophenyl)-1-methyl-5-(3-trifluoromethylphenyl)-4(1H)-pyridinone
CID 12879239
3-(2-chlorophenyl)-1-methyl-5-(3-trifluoromethylphenyl)-4(1H)-pyridinone
CID 12879242
3-(3-Chlorophenyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one
CID 12879282
3-(2-Chloro-4-fluorophenyl)-1-methyl-5-phenylpyridin-4-one
CID 12879341
3-[4-Chloro-3-(trifluoromethyl)phenyl]-5-ethylsulfanyl-1-methylpyridin-4-one
CID 12879362
3-[4-Chloro-3-(trifluoromethyl)phenyl]-1-methyl-5-phenylpyridin-4-one
CID 12879363
3-(2,4-Dichlorophenyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one
CID 12879366
3-(2-Chloro-4-fluorophenyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one
CID 12879373
3-[4-Chloro-3-(trifluoromethyl)phenyl]-1-methyl-5-(trifluoromethyl)pyridin-4-one
CID 12879375

Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-1H-pyridin-4-one?
The IUPAC name of 3-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-1H-pyridin-4-one (CID 159101500) is 3-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-1H-pyridin-4-one.
What is the SMILES notation for 3-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-1H-pyridin-4-one?
The canonical SMILES for 3-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-1H-pyridin-4-one is Cc1c[nH]cc(-c2ccc(Cl)c(C(F)(F)F)c2)c1=O.
What is the InChIKey of 3-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-1H-pyridin-4-one?
The InChIKey is KDINTWOBUCLAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3NO/c1-7-5-18-6-9(12(7)19)8-2-3-11(14)10(4-8)13(15,16)17/h2-6H,1H3,(H,18,19).
What are the key properties of 3-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-1H-pyridin-4-one?
3-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-1H-pyridin-4-one has a molecular weight of 287.67 g/mol, XLogP of 4.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-1H-pyridin-4-one is sourced from PubChem (CID 159101500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).