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

C12H6ClF4NO — CID 106519985

IUPAC6-(4-chloro-2-fluorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(C(F)(F)F)cc(-c2ccc(Cl)cc2F)[nH]1
InChIInChI=1S/C12H6ClF4NO/c13-7-1-2-8(9(14)5-7)10-3-6(12(15,16)17)4-11(19)18-10/h1-5H,(H,18,19)
InChIKeyJORNTJNJAYFRGE-UHFFFAOYSA-N
MW291.63 g/mol
LogP3.85
Rot. Bonds1

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

6-(4-chloro-2-fluorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 106519985) has the molecular formula C12H6ClF4NO and a molecular weight of 291.63 g/mol. Its IUPAC name is 6-(4-chloro-2-fluorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(4-chloro-2-fluorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID106519985
Molecular FormulaC12H6ClF4NO
Molecular Weight291.63 g/mol
Exact Mass291.01
IUPAC Name6-(4-chloro-2-fluorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(C(F)(F)F)cc(-c2ccc(Cl)cc2F)[nH]1
InChIInChI=1S/C12H6ClF4NO/c13-7-1-2-8(9(14)5-7)10-3-6(12(15,16)17)4-11(19)18-10/h1-5H,(H,18,19)
InChIKeyJORNTJNJAYFRGE-UHFFFAOYSA-N
XLogP3.85
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.63
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-2-fluorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 6-(4-chloro-2-fluorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one (CID 106519985) is 6-(4-chloro-2-fluorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(4-chloro-2-fluorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-(4-chloro-2-fluorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one is O=c1cc(C(F)(F)F)cc(-c2ccc(Cl)cc2F)[nH]1.
What is the InChIKey of 6-(4-chloro-2-fluorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is JORNTJNJAYFRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF4NO/c13-7-1-2-8(9(14)5-7)10-3-6(12(15,16)17)4-11(19)18-10/h1-5H,(H,18,19).
What are the key properties of 6-(4-chloro-2-fluorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
6-(4-chloro-2-fluorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 291.63 g/mol, XLogP of 3.85, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-2-fluorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 106519985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).