1-[3-bromo-4-(trifluoromethoxy)phenyl]-3-hydroxypyridin-4-one

C12H7BrF3NO3 — CID 89466725

IUPAC1-[3-bromo-4-(trifluoromethoxy)phenyl]-3-hydroxypyridin-4-one
SMILESO=c1ccn(-c2ccc(OC(F)(F)F)c(Br)c2)cc1O
InChIInChI=1S/C12H7BrF3NO3/c13-8-5-7(1-2-11(8)20-12(14,15)16)17-4-3-9(18)10(19)6-17/h1-6,19H
InChIKeyIVUYGFBVWHFCOE-UHFFFAOYSA-N
MW350.09 g/mol
LogP3.20
Rot. Bonds2

About 1-[3-bromo-4-(trifluoromethoxy)phenyl]-3-hydroxypyridin-4-one

1-[3-bromo-4-(trifluoromethoxy)phenyl]-3-hydroxypyridin-4-one (PubChem CID 89466725) has the molecular formula C12H7BrF3NO3 and a molecular weight of 350.09 g/mol. Its IUPAC name is 1-[3-bromo-4-(trifluoromethoxy)phenyl]-3-hydroxypyridin-4-one.

Molecular Properties

Compound Name1-[3-bromo-4-(trifluoromethoxy)phenyl]-3-hydroxypyridin-4-one
PubChem CID89466725
Molecular FormulaC12H7BrF3NO3
Molecular Weight350.09 g/mol
Exact Mass348.96
IUPAC Name1-[3-bromo-4-(trifluoromethoxy)phenyl]-3-hydroxypyridin-4-one
SMILESO=c1ccn(-c2ccc(OC(F)(F)F)c(Br)c2)cc1O
InChIInChI=1S/C12H7BrF3NO3/c13-8-5-7(1-2-11(8)20-12(14,15)16)17-4-3-9(18)10(19)6-17/h1-6,19H
InChIKeyIVUYGFBVWHFCOE-UHFFFAOYSA-N
XLogP3.20
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.09
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(bromomethyl)-1-[3-bromo-4-(trifluoromethoxy)phenyl]imidazole
CID 114204826
1-[3-bromo-4-(trifluoromethoxy)phenyl]-N-methylimidazol-2-amine
CID 107336923
1-[3-bromo-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-2H-tetrazole
CID 54427000
5-bromo-2-fluoro-4-(trifluoromethoxy)phenol
CID 130863182
[3-bromo-4-(trifluoromethoxy)phenyl]carbamic acid
CID 23139549
3-[3-bromo-4-(trifluoromethoxy)phenyl]propanal
CID 134621760
[1-[3-bromo-4-(trifluoromethoxy)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168674011
2-[3-bromo-4-(trifluoromethoxy)anilino]ethanesulfonamide
CID 107336163
2-[3-bromo-4-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 170997689
methyl 2-[3-bromo-4-(trifluoromethoxy)phenyl]-2,2-difluoroacetate
CID 75488066
1-[3-bromo-4-(trifluoromethoxy)phenyl]-N-propylimidazol-2-amine
CID 107336932
1-[3-bromo-4-(trifluoromethoxy)phenyl]-N-cyclopropylpyrrolidin-3-amine
CID 107336794

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-(trifluoromethoxy)phenyl]-3-hydroxypyridin-4-one?
The IUPAC name of 1-[3-bromo-4-(trifluoromethoxy)phenyl]-3-hydroxypyridin-4-one (CID 89466725) is 1-[3-bromo-4-(trifluoromethoxy)phenyl]-3-hydroxypyridin-4-one.
What is the SMILES notation for 1-[3-bromo-4-(trifluoromethoxy)phenyl]-3-hydroxypyridin-4-one?
The canonical SMILES for 1-[3-bromo-4-(trifluoromethoxy)phenyl]-3-hydroxypyridin-4-one is O=c1ccn(-c2ccc(OC(F)(F)F)c(Br)c2)cc1O.
What is the InChIKey of 1-[3-bromo-4-(trifluoromethoxy)phenyl]-3-hydroxypyridin-4-one?
The InChIKey is IVUYGFBVWHFCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrF3NO3/c13-8-5-7(1-2-11(8)20-12(14,15)16)17-4-3-9(18)10(19)6-17/h1-6,19H.
What are the key properties of 1-[3-bromo-4-(trifluoromethoxy)phenyl]-3-hydroxypyridin-4-one?
1-[3-bromo-4-(trifluoromethoxy)phenyl]-3-hydroxypyridin-4-one has a molecular weight of 350.09 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-4-(trifluoromethoxy)phenyl]-3-hydroxypyridin-4-one is sourced from PubChem (CID 89466725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).