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

C14H9BrF3NO2 — CID 141221424

IUPAC5-bromo-6-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-1H-pyridin-2-one
SMILESO=c1ccc(Br)c(/C=C/c2cccc(OC(F)(F)F)c2)[nH]1
InChIInChI=1S/C14H9BrF3NO2/c15-11-5-7-13(20)19-12(11)6-4-9-2-1-3-10(8-9)21-14(16,17)18/h1-8H,(H,19,20)/b6-4+
InChIKeyDSANOCWAZBAEQT-GQCTYLIASA-N
MW360.13 g/mol
LogP4.21
Rot. Bonds3

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

5-bromo-6-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-1H-pyridin-2-one (PubChem CID 141221424) has the molecular formula C14H9BrF3NO2 and a molecular weight of 360.13 g/mol. Its IUPAC name is 5-bromo-6-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-bromo-6-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-1H-pyridin-2-one
PubChem CID141221424
Molecular FormulaC14H9BrF3NO2
Molecular Weight360.13 g/mol
Exact Mass358.98
IUPAC Name5-bromo-6-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-1H-pyridin-2-one
SMILESO=c1ccc(Br)c(/C=C/c2cccc(OC(F)(F)F)c2)[nH]1
InChIInChI=1S/C14H9BrF3NO2/c15-11-5-7-13(20)19-12(11)6-4-9-2-1-3-10(8-9)21-14(16,17)18/h1-8H,(H,19,20)/b6-4+
InChIKeyDSANOCWAZBAEQT-GQCTYLIASA-N
XLogP4.21
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.13
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-1H-pyridin-2-one?
The IUPAC name of 5-bromo-6-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-1H-pyridin-2-one (CID 141221424) is 5-bromo-6-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-bromo-6-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-1H-pyridin-2-one?
The canonical SMILES for 5-bromo-6-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-1H-pyridin-2-one is O=c1ccc(Br)c(/C=C/c2cccc(OC(F)(F)F)c2)[nH]1.
What is the InChIKey of 5-bromo-6-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-1H-pyridin-2-one?
The InChIKey is DSANOCWAZBAEQT-GQCTYLIASA-N. The full InChI is InChI=1S/C14H9BrF3NO2/c15-11-5-7-13(20)19-12(11)6-4-9-2-1-3-10(8-9)21-14(16,17)18/h1-8H,(H,19,20)/b6-4+.
What are the key properties of 5-bromo-6-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-1H-pyridin-2-one?
5-bromo-6-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-1H-pyridin-2-one has a molecular weight of 360.13 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-1H-pyridin-2-one is sourced from PubChem (CID 141221424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).