3-(2-chloro-4-fluorophenyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one

C19H12ClF4NO — CID 12879373

IUPAC3-(2-chloro-4-fluorophenyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one
SMILESCn1cc(-c2cccc(C(F)(F)F)c2)c(=O)c(-c2ccc(F)cc2Cl)c1
InChIInChI=1S/C19H12ClF4NO/c1-25-9-15(11-3-2-4-12(7-11)19(22,23)24)18(26)16(10-25)14-6-5-13(21)8-17(14)20/h2-10H,1H3
InChIKeyYDFNQQYEEUNQSN-UHFFFAOYSA-N
MW381.76 g/mol
LogP5.53
Rot. Bonds2

About 3-(2-chloro-4-fluorophenyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one

3-(2-chloro-4-fluorophenyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one (PubChem CID 12879373) has the molecular formula C19H12ClF4NO and a molecular weight of 381.76 g/mol. Its IUPAC name is 3-(2-chloro-4-fluorophenyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one.

Molecular Properties

Compound Name3-(2-chloro-4-fluorophenyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one
PubChem CID12879373
Molecular FormulaC19H12ClF4NO
Molecular Weight381.76 g/mol
Exact Mass381.05
IUPAC Name3-(2-chloro-4-fluorophenyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one
SMILESCn1cc(-c2cccc(C(F)(F)F)c2)c(=O)c(-c2ccc(F)cc2Cl)c1
InChIInChI=1S/C19H12ClF4NO/c1-25-9-15(11-3-2-4-12(7-11)19(22,23)24)18(26)16(10-25)14-6-5-13(21)8-17(14)20/h2-10H,1H3
InChIKeyYDFNQQYEEUNQSN-UHFFFAOYSA-N
XLogP5.53
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.76
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-fluorophenyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one?
The IUPAC name of 3-(2-chloro-4-fluorophenyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one (CID 12879373) is 3-(2-chloro-4-fluorophenyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one.
What is the SMILES notation for 3-(2-chloro-4-fluorophenyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one?
The canonical SMILES for 3-(2-chloro-4-fluorophenyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one is Cn1cc(-c2cccc(C(F)(F)F)c2)c(=O)c(-c2ccc(F)cc2Cl)c1.
What is the InChIKey of 3-(2-chloro-4-fluorophenyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one?
The InChIKey is YDFNQQYEEUNQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF4NO/c1-25-9-15(11-3-2-4-12(7-11)19(22,23)24)18(26)16(10-25)14-6-5-13(21)8-17(14)20/h2-10H,1H3.
What are the key properties of 3-(2-chloro-4-fluorophenyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one?
3-(2-chloro-4-fluorophenyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one has a molecular weight of 381.76 g/mol, XLogP of 5.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-fluorophenyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one is sourced from PubChem (CID 12879373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).