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

C13H8Cl2F3NO — CID 18408343

IUPAC4-chloro-3-(4-chlorophenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one
SMILESCn1c(C(F)(F)F)cc(Cl)c(-c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C13H8Cl2F3NO/c1-19-10(13(16,17)18)6-9(15)11(12(19)20)7-2-4-8(14)5-3-7/h2-6H,1H3
InChIKeyFDIADTOCAHUUSC-UHFFFAOYSA-N
MW322.11 g/mol
LogP4.38
Rot. Bonds1

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

4-chloro-3-(4-chlorophenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one (PubChem CID 18408343) has the molecular formula C13H8Cl2F3NO and a molecular weight of 322.11 g/mol. Its IUPAC name is 4-chloro-3-(4-chlorophenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name4-chloro-3-(4-chlorophenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one
PubChem CID18408343
Molecular FormulaC13H8Cl2F3NO
Molecular Weight322.11 g/mol
Exact Mass320.99
IUPAC Name4-chloro-3-(4-chlorophenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one
SMILESCn1c(C(F)(F)F)cc(Cl)c(-c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C13H8Cl2F3NO/c1-19-10(13(16,17)18)6-9(15)11(12(19)20)7-2-4-8(14)5-3-7/h2-6H,1H3
InChIKeyFDIADTOCAHUUSC-UHFFFAOYSA-N
XLogP4.38
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.11
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(4-chlorophenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 4-chloro-3-(4-chlorophenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one (CID 18408343) is 4-chloro-3-(4-chlorophenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 4-chloro-3-(4-chlorophenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 4-chloro-3-(4-chlorophenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one is Cn1c(C(F)(F)F)cc(Cl)c(-c2ccc(Cl)cc2)c1=O.
What is the InChIKey of 4-chloro-3-(4-chlorophenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is FDIADTOCAHUUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2F3NO/c1-19-10(13(16,17)18)6-9(15)11(12(19)20)7-2-4-8(14)5-3-7/h2-6H,1H3.
What are the key properties of 4-chloro-3-(4-chlorophenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one?
4-chloro-3-(4-chlorophenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 322.11 g/mol, XLogP of 4.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(4-chlorophenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 18408343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).