3,5-dichloro-6-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-1H-pyridin-2-one

C14H8Cl2F3NO2 — CID 141221398

IUPAC3,5-dichloro-6-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-1H-pyridin-2-one
SMILESO=c1[nH]c(/C=C/c2cccc(OC(F)(F)F)c2)c(Cl)cc1Cl
InChIInChI=1S/C14H8Cl2F3NO2/c15-10-7-11(16)13(21)20-12(10)5-4-8-2-1-3-9(6-8)22-14(17,18)19/h1-7H,(H,20,21)/b5-4+
InChIKeySNYHXQOUARZVAF-SNAWJCMRSA-N
MW350.12 g/mol
LogP4.75
Rot. Bonds3

About 3,5-dichloro-6-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-1H-pyridin-2-one

3,5-dichloro-6-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-1H-pyridin-2-one (PubChem CID 141221398) has the molecular formula C14H8Cl2F3NO2 and a molecular weight of 350.12 g/mol. Its IUPAC name is 3,5-dichloro-6-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3,5-dichloro-6-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-1H-pyridin-2-one
PubChem CID141221398
Molecular FormulaC14H8Cl2F3NO2
Molecular Weight350.12 g/mol
Exact Mass348.99
IUPAC Name3,5-dichloro-6-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-1H-pyridin-2-one
SMILESO=c1[nH]c(/C=C/c2cccc(OC(F)(F)F)c2)c(Cl)cc1Cl
InChIInChI=1S/C14H8Cl2F3NO2/c15-10-7-11(16)13(21)20-12(10)5-4-8-2-1-3-9(6-8)22-14(17,18)19/h1-7H,(H,20,21)/b5-4+
InChIKeySNYHXQOUARZVAF-SNAWJCMRSA-N
XLogP4.75
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.12
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-(3,5-dimethylphenoxy)-5-ethyl-6-methyl-1H-pyridin-2-one
CID 16728056
4-(3,5-Dimethyl-phenoxy)-5-ethyl-6-methyl-3-trifluoromethyl-1H-pyridin-2-one
CID 16728060
4-(4-methoxyphenyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 138970268
(E)-3-(3-methoxyphenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 51072705
(E)-3-[3-(trifluoromethoxy)phenyl]prop-2-enamide
CID 18453525
(E)-N-propan-2-yl-3-[3-(trifluoromethoxy)phenyl]prop-2-enamide
CID 23548847
(E)-N-methyl-3-[3-(trifluoromethoxy)phenyl]prop-2-enamide
CID 23548874
4-(3-methoxy-4-trifluoromethyl-phenyl)-6-methyl-1H-pyridin-2-one
CID 57468687
6-methyl-4-(4-trifluoromethoxy-phenyl)-1H-pyridin-2-one
CID 57468694
3-(3-Trifluoromethoxy-phenyl)-acrylamide
CID 69489696
4-methoxy-6-[3-(trifluoromethyl)phenoxy]-1H-pyridin-2-one
CID 70266993
[3-[3-[(4-Chlorocyclohepta-1,4,6-trien-1-yl)amino]-3-oxoprop-1-enyl]-2,6-difluorophenyl] acetate
CID 91493647

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-1H-pyridin-2-one?
The IUPAC name of 3,5-dichloro-6-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-1H-pyridin-2-one (CID 141221398) is 3,5-dichloro-6-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-1H-pyridin-2-one.
What is the SMILES notation for 3,5-dichloro-6-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-1H-pyridin-2-one?
The canonical SMILES for 3,5-dichloro-6-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-1H-pyridin-2-one is O=c1[nH]c(/C=C/c2cccc(OC(F)(F)F)c2)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-1H-pyridin-2-one?
The InChIKey is SNYHXQOUARZVAF-SNAWJCMRSA-N. The full InChI is InChI=1S/C14H8Cl2F3NO2/c15-10-7-11(16)13(21)20-12(10)5-4-8-2-1-3-9(6-8)22-14(17,18)19/h1-7H,(H,20,21)/b5-4+.
What are the key properties of 3,5-dichloro-6-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-1H-pyridin-2-one?
3,5-dichloro-6-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-1H-pyridin-2-one has a molecular weight of 350.12 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-1H-pyridin-2-one is sourced from PubChem (CID 141221398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).