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

C13H5ClF7NO — CID 88671085

IUPAC3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(C(F)(F)F)cc1-c1c(F)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H5ClF7NO/c14-8-2-5(12(16,17)18)3-9(15)10(8)7-1-6(13(19,20)21)4-22-11(7)23/h1-4H,(H,22,23)
InChIKeyZHBZNHLJANABAZ-UHFFFAOYSA-N
MW359.63 g/mol
LogP4.87
Rot. Bonds1

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

3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 88671085) has the molecular formula C13H5ClF7NO and a molecular weight of 359.63 g/mol. Its IUPAC name is 3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID88671085
Molecular FormulaC13H5ClF7NO
Molecular Weight359.63 g/mol
Exact Mass358.99
IUPAC Name3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(C(F)(F)F)cc1-c1c(F)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H5ClF7NO/c14-8-2-5(12(16,17)18)3-9(15)10(8)7-1-6(13(19,20)21)4-22-11(7)23/h1-4H,(H,22,23)
InChIKeyZHBZNHLJANABAZ-UHFFFAOYSA-N
XLogP4.87
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.63
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-pyridin-2-one (CID 88671085) is 3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-pyridin-2-one is O=c1[nH]cc(C(F)(F)F)cc1-c1c(F)cc(C(F)(F)F)cc1Cl.
What is the InChIKey of 3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is ZHBZNHLJANABAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5ClF7NO/c14-8-2-5(12(16,17)18)3-9(15)10(8)7-1-6(13(19,20)21)4-22-11(7)23/h1-4H,(H,22,23).
What are the key properties of 3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-pyridin-2-one?
3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 359.63 g/mol, XLogP of 4.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 88671085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).