3-(4-chloro-2-fluorophenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one

C13H8ClF4NO — CID 15457048

IUPAC3-(4-chloro-2-fluorophenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one
SMILESCn1c(C(F)(F)F)ccc(-c2ccc(Cl)cc2F)c1=O
InChIInChI=1S/C13H8ClF4NO/c1-19-11(13(16,17)18)5-4-9(12(19)20)8-3-2-7(14)6-10(8)15/h2-6H,1H3
InChIKeyMXKGOFKPBBRLGS-UHFFFAOYSA-N
MW305.66 g/mol
LogP3.86
Rot. Bonds1

About 3-(4-chloro-2-fluorophenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one

3-(4-chloro-2-fluorophenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one (PubChem CID 15457048) has the molecular formula C13H8ClF4NO and a molecular weight of 305.66 g/mol. Its IUPAC name is 3-(4-chloro-2-fluorophenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name3-(4-chloro-2-fluorophenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one
PubChem CID15457048
Molecular FormulaC13H8ClF4NO
Molecular Weight305.66 g/mol
Exact Mass305.02
IUPAC Name3-(4-chloro-2-fluorophenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one
SMILESCn1c(C(F)(F)F)ccc(-c2ccc(Cl)cc2F)c1=O
InChIInChI=1S/C13H8ClF4NO/c1-19-11(13(16,17)18)5-4-9(12(19)20)8-3-2-7(14)6-10(8)15/h2-6H,1H3
InChIKeyMXKGOFKPBBRLGS-UHFFFAOYSA-N
XLogP3.86
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.66
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-fluorophenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 3-(4-chloro-2-fluorophenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one (CID 15457048) is 3-(4-chloro-2-fluorophenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 3-(4-chloro-2-fluorophenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 3-(4-chloro-2-fluorophenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one is Cn1c(C(F)(F)F)ccc(-c2ccc(Cl)cc2F)c1=O.
What is the InChIKey of 3-(4-chloro-2-fluorophenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is MXKGOFKPBBRLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF4NO/c1-19-11(13(16,17)18)5-4-9(12(19)20)8-3-2-7(14)6-10(8)15/h2-6H,1H3.
What are the key properties of 3-(4-chloro-2-fluorophenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one?
3-(4-chloro-2-fluorophenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 305.66 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-fluorophenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 15457048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).