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

C13H5Cl2F6NO — CID 88671034

IUPAC3-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]ccc(C(F)(F)F)c1-c1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H5Cl2F6NO/c14-7-3-5(12(16,17)18)4-8(15)10(7)9-6(13(19,20)21)1-2-22-11(9)23/h1-4H,(H,22,23)
InChIKeyBDYMYHGWEOJYGP-UHFFFAOYSA-N
MW376.08 g/mol
LogP5.39
Rot. Bonds1

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

3-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 88671034) has the molecular formula C13H5Cl2F6NO and a molecular weight of 376.08 g/mol. Its IUPAC name is 3-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID88671034
Molecular FormulaC13H5Cl2F6NO
Molecular Weight376.08 g/mol
Exact Mass374.97
IUPAC Name3-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]ccc(C(F)(F)F)c1-c1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H5Cl2F6NO/c14-7-3-5(12(16,17)18)4-8(15)10(7)9-6(13(19,20)21)1-2-22-11(9)23/h1-4H,(H,22,23)
InChIKeyBDYMYHGWEOJYGP-UHFFFAOYSA-N
XLogP5.39
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.08
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyridin-2-one (CID 88671034) is 3-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyridin-2-one is O=c1[nH]ccc(C(F)(F)F)c1-c1c(Cl)cc(C(F)(F)F)cc1Cl.
What is the InChIKey of 3-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is BDYMYHGWEOJYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5Cl2F6NO/c14-7-3-5(12(16,17)18)4-8(15)10(7)9-6(13(19,20)21)1-2-22-11(9)23/h1-4H,(H,22,23).
What are the key properties of 3-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyridin-2-one?
3-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 376.08 g/mol, XLogP of 5.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 88671034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).