5-chloro-3-[2,6-difluoro-4-(trifluoromethyl)phenyl]-1H-pyridin-2-one

C12H5ClF5NO — CID 88670225

IUPAC5-chloro-3-[2,6-difluoro-4-(trifluoromethyl)phenyl]-1H-pyridin-2-one
SMILESO=c1[nH]cc(Cl)cc1-c1c(F)cc(C(F)(F)F)cc1F
InChIInChI=1S/C12H5ClF5NO/c13-6-3-7(11(20)19-4-6)10-8(14)1-5(2-9(10)15)12(16,17)18/h1-4H,(H,19,20)
InChIKeyHHQNINZUOPIWQL-UHFFFAOYSA-N
MW309.62 g/mol
LogP3.99
Rot. Bonds1

About 5-chloro-3-[2,6-difluoro-4-(trifluoromethyl)phenyl]-1H-pyridin-2-one

5-chloro-3-[2,6-difluoro-4-(trifluoromethyl)phenyl]-1H-pyridin-2-one (PubChem CID 88670225) has the molecular formula C12H5ClF5NO and a molecular weight of 309.62 g/mol. Its IUPAC name is 5-chloro-3-[2,6-difluoro-4-(trifluoromethyl)phenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-chloro-3-[2,6-difluoro-4-(trifluoromethyl)phenyl]-1H-pyridin-2-one
PubChem CID88670225
Molecular FormulaC12H5ClF5NO
Molecular Weight309.62 g/mol
Exact Mass309.00
IUPAC Name5-chloro-3-[2,6-difluoro-4-(trifluoromethyl)phenyl]-1H-pyridin-2-one
SMILESO=c1[nH]cc(Cl)cc1-c1c(F)cc(C(F)(F)F)cc1F
InChIInChI=1S/C12H5ClF5NO/c13-6-3-7(11(20)19-4-6)10-8(14)1-5(2-9(10)15)12(16,17)18/h1-4H,(H,19,20)
InChIKeyHHQNINZUOPIWQL-UHFFFAOYSA-N
XLogP3.99
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.62
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[2,6-difluoro-4-(trifluoromethyl)phenyl]-1H-pyridin-2-one?
The IUPAC name of 5-chloro-3-[2,6-difluoro-4-(trifluoromethyl)phenyl]-1H-pyridin-2-one (CID 88670225) is 5-chloro-3-[2,6-difluoro-4-(trifluoromethyl)phenyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-chloro-3-[2,6-difluoro-4-(trifluoromethyl)phenyl]-1H-pyridin-2-one?
The canonical SMILES for 5-chloro-3-[2,6-difluoro-4-(trifluoromethyl)phenyl]-1H-pyridin-2-one is O=c1[nH]cc(Cl)cc1-c1c(F)cc(C(F)(F)F)cc1F.
What is the InChIKey of 5-chloro-3-[2,6-difluoro-4-(trifluoromethyl)phenyl]-1H-pyridin-2-one?
The InChIKey is HHQNINZUOPIWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5ClF5NO/c13-6-3-7(11(20)19-4-6)10-8(14)1-5(2-9(10)15)12(16,17)18/h1-4H,(H,19,20).
What are the key properties of 5-chloro-3-[2,6-difluoro-4-(trifluoromethyl)phenyl]-1H-pyridin-2-one?
5-chloro-3-[2,6-difluoro-4-(trifluoromethyl)phenyl]-1H-pyridin-2-one has a molecular weight of 309.62 g/mol, XLogP of 3.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[2,6-difluoro-4-(trifluoromethyl)phenyl]-1H-pyridin-2-one is sourced from PubChem (CID 88670225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).