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

C12H4Cl2F5NO — CID 88670619

IUPAC3,5-dichloro-4-[2,6-difluoro-4-(trifluoromethyl)phenyl]-1H-pyridin-2-one
SMILESO=c1[nH]cc(Cl)c(-c2c(F)cc(C(F)(F)F)cc2F)c1Cl
InChIInChI=1S/C12H4Cl2F5NO/c13-5-3-20-11(21)10(14)8(5)9-6(15)1-4(2-7(9)16)12(17,18)19/h1-3H,(H,20,21)
InChIKeyFSAUTJKSMAKLLO-UHFFFAOYSA-N
MW344.07 g/mol
LogP4.65
Rot. Bonds1

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

3,5-dichloro-4-[2,6-difluoro-4-(trifluoromethyl)phenyl]-1H-pyridin-2-one (PubChem CID 88670619) has the molecular formula C12H4Cl2F5NO and a molecular weight of 344.07 g/mol. Its IUPAC name is 3,5-dichloro-4-[2,6-difluoro-4-(trifluoromethyl)phenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3,5-dichloro-4-[2,6-difluoro-4-(trifluoromethyl)phenyl]-1H-pyridin-2-one
PubChem CID88670619
Molecular FormulaC12H4Cl2F5NO
Molecular Weight344.07 g/mol
Exact Mass342.96
IUPAC Name3,5-dichloro-4-[2,6-difluoro-4-(trifluoromethyl)phenyl]-1H-pyridin-2-one
SMILESO=c1[nH]cc(Cl)c(-c2c(F)cc(C(F)(F)F)cc2F)c1Cl
InChIInChI=1S/C12H4Cl2F5NO/c13-5-3-20-11(21)10(14)8(5)9-6(15)1-4(2-7(9)16)12(17,18)19/h1-3H,(H,20,21)
InChIKeyFSAUTJKSMAKLLO-UHFFFAOYSA-N
XLogP4.65
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.07
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-[2,6-difluoro-4-(trifluoromethyl)phenyl]-1H-pyridin-2-one?
The IUPAC name of 3,5-dichloro-4-[2,6-difluoro-4-(trifluoromethyl)phenyl]-1H-pyridin-2-one (CID 88670619) is 3,5-dichloro-4-[2,6-difluoro-4-(trifluoromethyl)phenyl]-1H-pyridin-2-one.
What is the SMILES notation for 3,5-dichloro-4-[2,6-difluoro-4-(trifluoromethyl)phenyl]-1H-pyridin-2-one?
The canonical SMILES for 3,5-dichloro-4-[2,6-difluoro-4-(trifluoromethyl)phenyl]-1H-pyridin-2-one is O=c1[nH]cc(Cl)c(-c2c(F)cc(C(F)(F)F)cc2F)c1Cl.
What is the InChIKey of 3,5-dichloro-4-[2,6-difluoro-4-(trifluoromethyl)phenyl]-1H-pyridin-2-one?
The InChIKey is FSAUTJKSMAKLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4Cl2F5NO/c13-5-3-20-11(21)10(14)8(5)9-6(15)1-4(2-7(9)16)12(17,18)19/h1-3H,(H,20,21).
What are the key properties of 3,5-dichloro-4-[2,6-difluoro-4-(trifluoromethyl)phenyl]-1H-pyridin-2-one?
3,5-dichloro-4-[2,6-difluoro-4-(trifluoromethyl)phenyl]-1H-pyridin-2-one has a molecular weight of 344.07 g/mol, XLogP of 4.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-[2,6-difluoro-4-(trifluoromethyl)phenyl]-1H-pyridin-2-one is sourced from PubChem (CID 88670619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).