6-(bromomethyl)-5-(trifluoromethoxy)-1H-pyridin-2-one

C7H5BrF3NO2 — CID 118804544

IUPAC6-(bromomethyl)-5-(trifluoromethoxy)-1H-pyridin-2-one
SMILESO=c1ccc(OC(F)(F)F)c(CBr)[nH]1
InChIInChI=1S/C7H5BrF3NO2/c8-3-4-5(14-7(9,10)11)1-2-6(13)12-4/h1-2H,3H2,(H,12,13)
InChIKeyQJUNSOWANLZTGG-UHFFFAOYSA-N
MW272.02 g/mol
LogP2.17
Rot. Bonds2

About 6-(bromomethyl)-5-(trifluoromethoxy)-1H-pyridin-2-one

6-(bromomethyl)-5-(trifluoromethoxy)-1H-pyridin-2-one (PubChem CID 118804544) has the molecular formula C7H5BrF3NO2 and a molecular weight of 272.02 g/mol. Its IUPAC name is 6-(bromomethyl)-5-(trifluoromethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(bromomethyl)-5-(trifluoromethoxy)-1H-pyridin-2-one
PubChem CID118804544
Molecular FormulaC7H5BrF3NO2
Molecular Weight272.02 g/mol
Exact Mass270.95
IUPAC Name6-(bromomethyl)-5-(trifluoromethoxy)-1H-pyridin-2-one
SMILESO=c1ccc(OC(F)(F)F)c(CBr)[nH]1
InChIInChI=1S/C7H5BrF3NO2/c8-3-4-5(14-7(9,10)11)1-2-6(13)12-4/h1-2H,3H2,(H,12,13)
InChIKeyQJUNSOWANLZTGG-UHFFFAOYSA-N
XLogP2.17
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.02
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[2-(bromomethyl)-6-oxo-4-(trifluoromethoxy)-1H-pyridin-3-yl]acetic acid
CID 118821305
2-bromo-1-[5-hydroxy-2-(trifluoromethoxy)phenyl]ethanone
CID 170998245
3-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 130092905
2-[4-(bromomethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridin-2-yl]acetonitrile
CID 134678432
5-(bromomethyl)-2-(trifluoromethoxy)benzoic acid
CID 170909659
6-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)-1H-pyridin-2-one
CID 118848207
2-(chloromethyl)-6-oxo-4-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde
CID 118809858
5-(bromomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 134680411
2-bromo-1-[3-hydroxy-4-(trifluoromethoxy)phenyl]ethanone
CID 170998241
4-(bromomethyl)-5-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one
CID 130111919
3-(bromomethyl)-2-fluoro-4-(trifluoromethoxy)aniline
CID 131369969
2-(bromomethyl)-4-iodo-1-(trifluoromethoxy)benzene
CID 170997750

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-5-(trifluoromethoxy)-1H-pyridin-2-one?
The IUPAC name of 6-(bromomethyl)-5-(trifluoromethoxy)-1H-pyridin-2-one (CID 118804544) is 6-(bromomethyl)-5-(trifluoromethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 6-(bromomethyl)-5-(trifluoromethoxy)-1H-pyridin-2-one?
The canonical SMILES for 6-(bromomethyl)-5-(trifluoromethoxy)-1H-pyridin-2-one is O=c1ccc(OC(F)(F)F)c(CBr)[nH]1.
What is the InChIKey of 6-(bromomethyl)-5-(trifluoromethoxy)-1H-pyridin-2-one?
The InChIKey is QJUNSOWANLZTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF3NO2/c8-3-4-5(14-7(9,10)11)1-2-6(13)12-4/h1-2H,3H2,(H,12,13).
What are the key properties of 6-(bromomethyl)-5-(trifluoromethoxy)-1H-pyridin-2-one?
6-(bromomethyl)-5-(trifluoromethoxy)-1H-pyridin-2-one has a molecular weight of 272.02 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-5-(trifluoromethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 118804544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).