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

C14H8Cl2F3NO2 — CID 141221392

IUPAC3,5-dichloro-6-[(E)-2-[2-(trifluoromethoxy)phenyl]ethenyl]-1H-pyridin-2-one
SMILESO=c1[nH]c(/C=C/c2ccccc2OC(F)(F)F)c(Cl)cc1Cl
InChIInChI=1S/C14H8Cl2F3NO2/c15-9-7-10(16)13(21)20-11(9)6-5-8-3-1-2-4-12(8)22-14(17,18)19/h1-7H,(H,20,21)/b6-5+
InChIKeyMABKQMJFIAQXJW-AATRIKPKSA-N
MW350.12 g/mol
LogP4.75
Rot. Bonds3

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

3,5-dichloro-6-[(E)-2-[2-(trifluoromethoxy)phenyl]ethenyl]-1H-pyridin-2-one (PubChem CID 141221392) has the molecular formula C14H8Cl2F3NO2 and a molecular weight of 350.12 g/mol. Its IUPAC name is 3,5-dichloro-6-[(E)-2-[2-(trifluoromethoxy)phenyl]ethenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3,5-dichloro-6-[(E)-2-[2-(trifluoromethoxy)phenyl]ethenyl]-1H-pyridin-2-one
PubChem CID141221392
Molecular FormulaC14H8Cl2F3NO2
Molecular Weight350.12 g/mol
Exact Mass348.99
IUPAC Name3,5-dichloro-6-[(E)-2-[2-(trifluoromethoxy)phenyl]ethenyl]-1H-pyridin-2-one
SMILESO=c1[nH]c(/C=C/c2ccccc2OC(F)(F)F)c(Cl)cc1Cl
InChIInChI=1S/C14H8Cl2F3NO2/c15-9-7-10(16)13(21)20-11(9)6-5-8-3-1-2-4-12(8)22-14(17,18)19/h1-7H,(H,20,21)/b6-5+
InChIKeyMABKQMJFIAQXJW-AATRIKPKSA-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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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-[(E)-2-[2-(trifluoromethoxy)phenyl]ethenyl]-1H-pyridin-2-one?
The IUPAC name of 3,5-dichloro-6-[(E)-2-[2-(trifluoromethoxy)phenyl]ethenyl]-1H-pyridin-2-one (CID 141221392) is 3,5-dichloro-6-[(E)-2-[2-(trifluoromethoxy)phenyl]ethenyl]-1H-pyridin-2-one.
What is the SMILES notation for 3,5-dichloro-6-[(E)-2-[2-(trifluoromethoxy)phenyl]ethenyl]-1H-pyridin-2-one?
The canonical SMILES for 3,5-dichloro-6-[(E)-2-[2-(trifluoromethoxy)phenyl]ethenyl]-1H-pyridin-2-one is O=c1[nH]c(/C=C/c2ccccc2OC(F)(F)F)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-[(E)-2-[2-(trifluoromethoxy)phenyl]ethenyl]-1H-pyridin-2-one?
The InChIKey is MABKQMJFIAQXJW-AATRIKPKSA-N. The full InChI is InChI=1S/C14H8Cl2F3NO2/c15-9-7-10(16)13(21)20-11(9)6-5-8-3-1-2-4-12(8)22-14(17,18)19/h1-7H,(H,20,21)/b6-5+.
What are the key properties of 3,5-dichloro-6-[(E)-2-[2-(trifluoromethoxy)phenyl]ethenyl]-1H-pyridin-2-one?
3,5-dichloro-6-[(E)-2-[2-(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-[2-(trifluoromethoxy)phenyl]ethenyl]-1H-pyridin-2-one is sourced from PubChem (CID 141221392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).