6-bromo-3-chloro-5-(trifluoromethoxy)-1H-pyridin-2-one

C6H2BrClF3NO2 — CID 119003872

IUPAC6-bromo-3-chloro-5-(trifluoromethoxy)-1H-pyridin-2-one
SMILESO=c1[nH]c(Br)c(OC(F)(F)F)cc1Cl
InChIInChI=1S/C6H2BrClF3NO2/c7-4-3(14-6(9,10)11)1-2(8)5(13)12-4/h1H,(H,12,13)
InChIKeyGDDBXHVOYLPQRZ-UHFFFAOYSA-N
MW292.44 g/mol
LogP2.69
Rot. Bonds1

About 6-bromo-3-chloro-5-(trifluoromethoxy)-1H-pyridin-2-one

6-bromo-3-chloro-5-(trifluoromethoxy)-1H-pyridin-2-one (PubChem CID 119003872) has the molecular formula C6H2BrClF3NO2 and a molecular weight of 292.44 g/mol. Its IUPAC name is 6-bromo-3-chloro-5-(trifluoromethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-bromo-3-chloro-5-(trifluoromethoxy)-1H-pyridin-2-one
PubChem CID119003872
Molecular FormulaC6H2BrClF3NO2
Molecular Weight292.44 g/mol
Exact Mass290.89
IUPAC Name6-bromo-3-chloro-5-(trifluoromethoxy)-1H-pyridin-2-one
SMILESO=c1[nH]c(Br)c(OC(F)(F)F)cc1Cl
InChIInChI=1S/C6H2BrClF3NO2/c7-4-3(14-6(9,10)11)1-2(8)5(13)12-4/h1H,(H,12,13)
InChIKeyGDDBXHVOYLPQRZ-UHFFFAOYSA-N
XLogP2.69
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1,5-dibromo-2-chloro-4-(trifluoromethoxy)benzene
CID 171006157
6-amino-3-bromo-4-(trifluoromethoxy)-1H-pyridin-2-one
CID 131072345
1-bromo-2,4-dichloro-5-(trifluoromethoxy)benzene
CID 53217040
5-bromo-4-chloro-2-(trifluoromethoxy)aniline
CID 121227608
4,6-dichloro-5-(trifluoromethoxy)-1H-pyridin-2-one
CID 130093802
4-bromo-3-chloro-5-(trifluoromethoxy)benzaldehyde
CID 134568072
4,6-dibromo-5-(trifluoromethoxy)-1H-pyridin-2-one
CID 119010745
4-bromo-2-chloro-5-(trifluoromethoxy)benzoic acid
CID 86682805
bromozinc(1+);2-chloro-4-methanidyl-1-(trifluoromethoxy)benzene
CID 146001700
3-methyl-4-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 134666705
1,2-dibromo-5-chloro-3-(trifluoromethoxy)benzene
CID 171006255
1-[2-bromo-4-chloro-5-(trifluoromethoxy)phenyl]ethanone
CID 171032832

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-chloro-5-(trifluoromethoxy)-1H-pyridin-2-one?
The IUPAC name of 6-bromo-3-chloro-5-(trifluoromethoxy)-1H-pyridin-2-one (CID 119003872) is 6-bromo-3-chloro-5-(trifluoromethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 6-bromo-3-chloro-5-(trifluoromethoxy)-1H-pyridin-2-one?
The canonical SMILES for 6-bromo-3-chloro-5-(trifluoromethoxy)-1H-pyridin-2-one is O=c1[nH]c(Br)c(OC(F)(F)F)cc1Cl.
What is the InChIKey of 6-bromo-3-chloro-5-(trifluoromethoxy)-1H-pyridin-2-one?
The InChIKey is GDDBXHVOYLPQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrClF3NO2/c7-4-3(14-6(9,10)11)1-2(8)5(13)12-4/h1H,(H,12,13).
What are the key properties of 6-bromo-3-chloro-5-(trifluoromethoxy)-1H-pyridin-2-one?
6-bromo-3-chloro-5-(trifluoromethoxy)-1H-pyridin-2-one has a molecular weight of 292.44 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-chloro-5-(trifluoromethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 119003872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).