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

C19H13ClF3NO — CID 12879300

IUPAC3-(3-chlorophenyl)-1-methyl-5-[4-(trifluoromethyl)phenyl]pyridin-4-one
SMILESCn1cc(-c2ccc(C(F)(F)F)cc2)c(=O)c(-c2cccc(Cl)c2)c1
InChIInChI=1S/C19H13ClF3NO/c1-24-10-16(12-5-7-14(8-6-12)19(21,22)23)18(25)17(11-24)13-3-2-4-15(20)9-13/h2-11H,1H3
InChIKeyBROKQSKIPUWDNJ-UHFFFAOYSA-N
MW363.77 g/mol
LogP5.39
Rot. Bonds2

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

3-(3-chlorophenyl)-1-methyl-5-[4-(trifluoromethyl)phenyl]pyridin-4-one (PubChem CID 12879300) has the molecular formula C19H13ClF3NO and a molecular weight of 363.77 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-methyl-5-[4-(trifluoromethyl)phenyl]pyridin-4-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-methyl-5-[4-(trifluoromethyl)phenyl]pyridin-4-one
PubChem CID12879300
Molecular FormulaC19H13ClF3NO
Molecular Weight363.77 g/mol
Exact Mass363.06
IUPAC Name3-(3-chlorophenyl)-1-methyl-5-[4-(trifluoromethyl)phenyl]pyridin-4-one
SMILESCn1cc(-c2ccc(C(F)(F)F)cc2)c(=O)c(-c2cccc(Cl)c2)c1
InChIInChI=1S/C19H13ClF3NO/c1-24-10-16(12-5-7-14(8-6-12)19(21,22)23)18(25)17(11-24)13-3-2-4-15(20)9-13/h2-11H,1H3
InChIKeyBROKQSKIPUWDNJ-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-(3-chlorophenyl)-1-methyl-5-[4-(trifluoromethyl)phenyl]pyridin-4-one?
The IUPAC name of 3-(3-chlorophenyl)-1-methyl-5-[4-(trifluoromethyl)phenyl]pyridin-4-one (CID 12879300) is 3-(3-chlorophenyl)-1-methyl-5-[4-(trifluoromethyl)phenyl]pyridin-4-one.
What is the SMILES notation for 3-(3-chlorophenyl)-1-methyl-5-[4-(trifluoromethyl)phenyl]pyridin-4-one?
The canonical SMILES for 3-(3-chlorophenyl)-1-methyl-5-[4-(trifluoromethyl)phenyl]pyridin-4-one is Cn1cc(-c2ccc(C(F)(F)F)cc2)c(=O)c(-c2cccc(Cl)c2)c1.
What is the InChIKey of 3-(3-chlorophenyl)-1-methyl-5-[4-(trifluoromethyl)phenyl]pyridin-4-one?
The InChIKey is BROKQSKIPUWDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF3NO/c1-24-10-16(12-5-7-14(8-6-12)19(21,22)23)18(25)17(11-24)13-3-2-4-15(20)9-13/h2-11H,1H3.
What are the key properties of 3-(3-chlorophenyl)-1-methyl-5-[4-(trifluoromethyl)phenyl]pyridin-4-one?
3-(3-chlorophenyl)-1-methyl-5-[4-(trifluoromethyl)phenyl]pyridin-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-(3-chlorophenyl)-1-methyl-5-[4-(trifluoromethyl)phenyl]pyridin-4-one is sourced from PubChem (CID 12879300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).