3-(3,4-dichlorophenyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one

C19H12Cl2F3NO — CID 12879294

IUPAC3-(3,4-dichlorophenyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one
SMILESCn1cc(-c2cccc(C(F)(F)F)c2)c(=O)c(-c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C19H12Cl2F3NO/c1-25-9-14(11-3-2-4-13(7-11)19(22,23)24)18(26)15(10-25)12-5-6-16(20)17(21)8-12/h2-10H,1H3
InChIKeyLNYZSNRROXOKEF-UHFFFAOYSA-N
MW398.21 g/mol
LogP6.04
Rot. Bonds2

About 3-(3,4-dichlorophenyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one

3-(3,4-dichlorophenyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one (PubChem CID 12879294) has the molecular formula C19H12Cl2F3NO and a molecular weight of 398.21 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one
PubChem CID12879294
Molecular FormulaC19H12Cl2F3NO
Molecular Weight398.21 g/mol
Exact Mass397.02
IUPAC Name3-(3,4-dichlorophenyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one
SMILESCn1cc(-c2cccc(C(F)(F)F)c2)c(=O)c(-c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C19H12Cl2F3NO/c1-25-9-14(11-3-2-4-13(7-11)19(22,23)24)18(26)15(10-25)12-5-6-16(20)17(21)8-12/h2-10H,1H3
InChIKeyLNYZSNRROXOKEF-UHFFFAOYSA-N
XLogP6.04
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.21
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one?
The IUPAC name of 3-(3,4-dichlorophenyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one (CID 12879294) is 3-(3,4-dichlorophenyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one?
The canonical SMILES for 3-(3,4-dichlorophenyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one is Cn1cc(-c2cccc(C(F)(F)F)c2)c(=O)c(-c2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one?
The InChIKey is LNYZSNRROXOKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2F3NO/c1-25-9-14(11-3-2-4-13(7-11)19(22,23)24)18(26)15(10-25)12-5-6-16(20)17(21)8-12/h2-10H,1H3.
What are the key properties of 3-(3,4-dichlorophenyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one?
3-(3,4-dichlorophenyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one has a molecular weight of 398.21 g/mol, XLogP of 6.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one is sourced from PubChem (CID 12879294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).