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

C19H13ClF3NO — CID 12879363

IUPAC3-[4-chloro-3-(trifluoromethyl)phenyl]-1-methyl-5-phenylpyridin-4-one
SMILESCn1cc(-c2ccccc2)c(=O)c(-c2ccc(Cl)c(C(F)(F)F)c2)c1
InChIInChI=1S/C19H13ClF3NO/c1-24-10-14(12-5-3-2-4-6-12)18(25)15(11-24)13-7-8-17(20)16(9-13)19(21,22)23/h2-11H,1H3
InChIKeyOSPYOQPKGLKIEB-UHFFFAOYSA-N
MW363.77 g/mol
LogP5.39
Rot. Bonds2

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

3-[4-chloro-3-(trifluoromethyl)phenyl]-1-methyl-5-phenylpyridin-4-one (PubChem CID 12879363) has the molecular formula C19H13ClF3NO and a molecular weight of 363.77 g/mol. Its IUPAC name is 3-[4-chloro-3-(trifluoromethyl)phenyl]-1-methyl-5-phenylpyridin-4-one.

Molecular Properties

Compound Name3-[4-chloro-3-(trifluoromethyl)phenyl]-1-methyl-5-phenylpyridin-4-one
PubChem CID12879363
Molecular FormulaC19H13ClF3NO
Molecular Weight363.77 g/mol
Exact Mass363.06
IUPAC Name3-[4-chloro-3-(trifluoromethyl)phenyl]-1-methyl-5-phenylpyridin-4-one
SMILESCn1cc(-c2ccccc2)c(=O)c(-c2ccc(Cl)c(C(F)(F)F)c2)c1
InChIInChI=1S/C19H13ClF3NO/c1-24-10-14(12-5-3-2-4-6-12)18(25)15(11-24)13-7-8-17(20)16(9-13)19(21,22)23/h2-11H,1H3
InChIKeyOSPYOQPKGLKIEB-UHFFFAOYSA-N
XLogP5.39
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.77
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-3-(trifluoromethyl)phenyl]-1-methyl-5-phenylpyridin-4-one?
The IUPAC name of 3-[4-chloro-3-(trifluoromethyl)phenyl]-1-methyl-5-phenylpyridin-4-one (CID 12879363) is 3-[4-chloro-3-(trifluoromethyl)phenyl]-1-methyl-5-phenylpyridin-4-one.
What is the SMILES notation for 3-[4-chloro-3-(trifluoromethyl)phenyl]-1-methyl-5-phenylpyridin-4-one?
The canonical SMILES for 3-[4-chloro-3-(trifluoromethyl)phenyl]-1-methyl-5-phenylpyridin-4-one is Cn1cc(-c2ccccc2)c(=O)c(-c2ccc(Cl)c(C(F)(F)F)c2)c1.
What is the InChIKey of 3-[4-chloro-3-(trifluoromethyl)phenyl]-1-methyl-5-phenylpyridin-4-one?
The InChIKey is OSPYOQPKGLKIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF3NO/c1-24-10-14(12-5-3-2-4-6-12)18(25)15(11-24)13-7-8-17(20)16(9-13)19(21,22)23/h2-11H,1H3.
What are the key properties of 3-[4-chloro-3-(trifluoromethyl)phenyl]-1-methyl-5-phenylpyridin-4-one?
3-[4-chloro-3-(trifluoromethyl)phenyl]-1-methyl-5-phenylpyridin-4-one has a molecular weight of 363.77 g/mol, XLogP of 5.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-3-(trifluoromethyl)phenyl]-1-methyl-5-phenylpyridin-4-one is sourced from PubChem (CID 12879363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).