3-chloro-5-[3-(trifluoromethoxy)phenyl]-1H-pyridin-4-one

C12H7ClF3NO2 — CID 133091466

IUPAC3-chloro-5-[3-(trifluoromethoxy)phenyl]-1H-pyridin-4-one
SMILESO=c1c(Cl)c[nH]cc1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C12H7ClF3NO2/c13-10-6-17-5-9(11(10)18)7-2-1-3-8(4-7)19-12(14,15)16/h1-6H,(H,17,18)
InChIKeyUZEVATXZHMYLRX-UHFFFAOYSA-N
MW289.64 g/mol
LogP3.59
Rot. Bonds2

About 3-chloro-5-[3-(trifluoromethoxy)phenyl]-1H-pyridin-4-one

3-chloro-5-[3-(trifluoromethoxy)phenyl]-1H-pyridin-4-one (PubChem CID 133091466) has the molecular formula C12H7ClF3NO2 and a molecular weight of 289.64 g/mol. Its IUPAC name is 3-chloro-5-[3-(trifluoromethoxy)phenyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name3-chloro-5-[3-(trifluoromethoxy)phenyl]-1H-pyridin-4-one
PubChem CID133091466
Molecular FormulaC12H7ClF3NO2
Molecular Weight289.64 g/mol
Exact Mass289.01
IUPAC Name3-chloro-5-[3-(trifluoromethoxy)phenyl]-1H-pyridin-4-one
SMILESO=c1c(Cl)c[nH]cc1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C12H7ClF3NO2/c13-10-6-17-5-9(11(10)18)7-2-1-3-8(4-7)19-12(14,15)16/h1-6H,(H,17,18)
InChIKeyUZEVATXZHMYLRX-UHFFFAOYSA-N
XLogP3.59
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.64
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(trifluoromethoxy)phenyl]-1H-pyridin-4-one
CID 133091648
1,2,4-trichloro-5-[3-(trifluoromethoxy)phenyl]benzene
CID 118994485
2-chloro-3-[3-(trifluoromethoxy)phenyl]benzoyl chloride
CID 134619623
5-chloro-2-[3-(trifluoromethoxy)phenyl]benzamide
CID 134627963
5-(hydroxymethyl)-3-[3-(trifluoromethoxy)phenyl]-1H-pyridin-2-one
CID 133091674
1-[2-methyl-4-[3-(trifluoromethoxy)phenyl]-1H-pyrrol-3-yl]ethanone
CID 154688990
4-(bromomethyl)-1-chloro-2-[3-(trifluoromethoxy)phenyl]benzene
CID 134629432
1-fluoro-4-(trifluoromethoxy)-2-[3-(trifluoromethoxy)phenyl]benzene
CID 134629043
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
2-chloro-1-(difluoromethyl)-3-[3-(trifluoromethoxy)phenyl]benzene
CID 134619600
3-fluoro-4-[3-(trifluoromethoxy)phenyl]benzoyl chloride
CID 134620203
1-methyl-2-[3-(trifluoromethoxy)phenyl]benzene
CID 18715807

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[3-(trifluoromethoxy)phenyl]-1H-pyridin-4-one?
The IUPAC name of 3-chloro-5-[3-(trifluoromethoxy)phenyl]-1H-pyridin-4-one (CID 133091466) is 3-chloro-5-[3-(trifluoromethoxy)phenyl]-1H-pyridin-4-one.
What is the SMILES notation for 3-chloro-5-[3-(trifluoromethoxy)phenyl]-1H-pyridin-4-one?
The canonical SMILES for 3-chloro-5-[3-(trifluoromethoxy)phenyl]-1H-pyridin-4-one is O=c1c(Cl)c[nH]cc1-c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 3-chloro-5-[3-(trifluoromethoxy)phenyl]-1H-pyridin-4-one?
The InChIKey is UZEVATXZHMYLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF3NO2/c13-10-6-17-5-9(11(10)18)7-2-1-3-8(4-7)19-12(14,15)16/h1-6H,(H,17,18).
What are the key properties of 3-chloro-5-[3-(trifluoromethoxy)phenyl]-1H-pyridin-4-one?
3-chloro-5-[3-(trifluoromethoxy)phenyl]-1H-pyridin-4-one has a molecular weight of 289.64 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[3-(trifluoromethoxy)phenyl]-1H-pyridin-4-one is sourced from PubChem (CID 133091466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).