1-methyl-3-phenyl-5-(2,4,6-trifluoro-3-methylphenyl)pyridin-4-one

C19H14F3NO — CID 23161451

IUPAC1-methyl-3-phenyl-5-(2,4,6-trifluoro-3-methylphenyl)pyridin-4-one
SMILESCc1c(F)cc(F)c(-c2cn(C)cc(-c3ccccc3)c2=O)c1F
InChIInChI=1S/C19H14F3NO/c1-11-15(20)8-16(21)17(18(11)22)14-10-23(2)9-13(19(14)24)12-6-4-3-5-7-12/h3-10H,1-2H3
InChIKeyOLSOAGSITCXOLB-UHFFFAOYSA-N
MW329.32 g/mol
LogP4.45
Rot. Bonds2

About 1-methyl-3-phenyl-5-(2,4,6-trifluoro-3-methylphenyl)pyridin-4-one

1-methyl-3-phenyl-5-(2,4,6-trifluoro-3-methylphenyl)pyridin-4-one (PubChem CID 23161451) has the molecular formula C19H14F3NO and a molecular weight of 329.32 g/mol. Its IUPAC name is 1-methyl-3-phenyl-5-(2,4,6-trifluoro-3-methylphenyl)pyridin-4-one.

Molecular Properties

Compound Name1-methyl-3-phenyl-5-(2,4,6-trifluoro-3-methylphenyl)pyridin-4-one
PubChem CID23161451
Molecular FormulaC19H14F3NO
Molecular Weight329.32 g/mol
Exact Mass329.10
IUPAC Name1-methyl-3-phenyl-5-(2,4,6-trifluoro-3-methylphenyl)pyridin-4-one
SMILESCc1c(F)cc(F)c(-c2cn(C)cc(-c3ccccc3)c2=O)c1F
InChIInChI=1S/C19H14F3NO/c1-11-15(20)8-16(21)17(18(11)22)14-10-23(2)9-13(19(14)24)12-6-4-3-5-7-12/h3-10H,1-2H3
InChIKeyOLSOAGSITCXOLB-UHFFFAOYSA-N
XLogP4.45
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-phenyl-5-(2,4,6-trifluoro-3-methylphenyl)pyridin-4-one?
The IUPAC name of 1-methyl-3-phenyl-5-(2,4,6-trifluoro-3-methylphenyl)pyridin-4-one (CID 23161451) is 1-methyl-3-phenyl-5-(2,4,6-trifluoro-3-methylphenyl)pyridin-4-one.
What is the SMILES notation for 1-methyl-3-phenyl-5-(2,4,6-trifluoro-3-methylphenyl)pyridin-4-one?
The canonical SMILES for 1-methyl-3-phenyl-5-(2,4,6-trifluoro-3-methylphenyl)pyridin-4-one is Cc1c(F)cc(F)c(-c2cn(C)cc(-c3ccccc3)c2=O)c1F.
What is the InChIKey of 1-methyl-3-phenyl-5-(2,4,6-trifluoro-3-methylphenyl)pyridin-4-one?
The InChIKey is OLSOAGSITCXOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3NO/c1-11-15(20)8-16(21)17(18(11)22)14-10-23(2)9-13(19(14)24)12-6-4-3-5-7-12/h3-10H,1-2H3.
What are the key properties of 1-methyl-3-phenyl-5-(2,4,6-trifluoro-3-methylphenyl)pyridin-4-one?
1-methyl-3-phenyl-5-(2,4,6-trifluoro-3-methylphenyl)pyridin-4-one has a molecular weight of 329.32 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-phenyl-5-(2,4,6-trifluoro-3-methylphenyl)pyridin-4-one is sourced from PubChem (CID 23161451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).