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

C19H13BrF3NO — CID 12879298

IUPAC3-(4-bromophenyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one
SMILESCn1cc(-c2ccc(Br)cc2)c(=O)c(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H13BrF3NO/c1-24-10-16(12-5-7-15(20)8-6-12)18(25)17(11-24)13-3-2-4-14(9-13)19(21,22)23/h2-11H,1H3
InChIKeyUJPQYTSIRKOARI-UHFFFAOYSA-N
MW408.22 g/mol
LogP5.50
Rot. Bonds2

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

3-(4-bromophenyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one (PubChem CID 12879298) has the molecular formula C19H13BrF3NO and a molecular weight of 408.22 g/mol. Its IUPAC name is 3-(4-bromophenyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one.

Molecular Properties

Compound Name3-(4-bromophenyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one
PubChem CID12879298
Molecular FormulaC19H13BrF3NO
Molecular Weight408.22 g/mol
Exact Mass407.01
IUPAC Name3-(4-bromophenyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one
SMILESCn1cc(-c2ccc(Br)cc2)c(=O)c(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H13BrF3NO/c1-24-10-16(12-5-7-15(20)8-6-12)18(25)17(11-24)13-3-2-4-14(9-13)19(21,22)23/h2-11H,1H3
InChIKeyUJPQYTSIRKOARI-UHFFFAOYSA-N
XLogP5.50
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.22
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 181232
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CID 181235
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CID 12374162
CID 12374162
CID 12374167
CID 12374167
CID 12485517
CID 12485517
CID 12485520
CID 12485520
CID 12879233
CID 12879233

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one?
The IUPAC name of 3-(4-bromophenyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one (CID 12879298) is 3-(4-bromophenyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one.
What is the SMILES notation for 3-(4-bromophenyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one?
The canonical SMILES for 3-(4-bromophenyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one is Cn1cc(-c2ccc(Br)cc2)c(=O)c(-c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 3-(4-bromophenyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one?
The InChIKey is UJPQYTSIRKOARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrF3NO/c1-24-10-16(12-5-7-15(20)8-6-12)18(25)17(11-24)13-3-2-4-14(9-13)19(21,22)23/h2-11H,1H3.
What are the key properties of 3-(4-bromophenyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one?
3-(4-bromophenyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one has a molecular weight of 408.22 g/mol, XLogP of 5.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one is sourced from PubChem (CID 12879298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).