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

C8H7BrF3NO2 — CID 130111919

IUPAC4-(bromomethyl)-5-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one
SMILESCc1c(CBr)cc(=O)[nH]c1OC(F)(F)F
InChIInChI=1S/C8H7BrF3NO2/c1-4-5(3-9)2-6(14)13-7(4)15-8(10,11)12/h2H,3H2,1H3,(H,13,14)
InChIKeyFTKYMCXLYPCTBI-UHFFFAOYSA-N
MW286.05 g/mol
LogP2.48
Rot. Bonds2

About 4-(bromomethyl)-5-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one

4-(bromomethyl)-5-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one (PubChem CID 130111919) has the molecular formula C8H7BrF3NO2 and a molecular weight of 286.05 g/mol. Its IUPAC name is 4-(bromomethyl)-5-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(bromomethyl)-5-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one
PubChem CID130111919
Molecular FormulaC8H7BrF3NO2
Molecular Weight286.05 g/mol
Exact Mass284.96
IUPAC Name4-(bromomethyl)-5-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one
SMILESCc1c(CBr)cc(=O)[nH]c1OC(F)(F)F
InChIInChI=1S/C8H7BrF3NO2/c1-4-5(3-9)2-6(14)13-7(4)15-8(10,11)12/h2H,3H2,1H3,(H,13,14)
InChIKeyFTKYMCXLYPCTBI-UHFFFAOYSA-N
XLogP2.48
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.05
LogP ≤ 52.48
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

4-(bromomethyl)-6-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-2-one
CID 134666701
ethyl 2-[3-methyl-6-oxo-2-(trifluoromethoxy)-1H-pyridin-4-yl]acetate
CID 134680788
2-[4-(bromomethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridin-2-yl]acetonitrile
CID 134678432
methyl 4-(chloromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carboxylate
CID 134666654
5-iodo-4-methoxy-6-(trifluoromethoxy)-1H-pyridin-2-one
CID 130111016
ethyl 2-[4-(difluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]acetate
CID 134680673
5-methyl-4-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 134658933
2-[2-(bromomethyl)-6-oxo-4-(trifluoromethoxy)-1H-pyridin-3-yl]acetic acid
CID 118821305
4-methoxy-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde
CID 134663845
methyl 2-[3-methyl-6-oxo-4-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134658759
5-(bromomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 134680411
5-(fluoromethyl)-3-iodo-6-(trifluoromethoxy)-1H-pyridin-2-one
CID 134665423

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-5-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one?
The IUPAC name of 4-(bromomethyl)-5-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one (CID 130111919) is 4-(bromomethyl)-5-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 4-(bromomethyl)-5-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one?
The canonical SMILES for 4-(bromomethyl)-5-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one is Cc1c(CBr)cc(=O)[nH]c1OC(F)(F)F.
What is the InChIKey of 4-(bromomethyl)-5-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one?
The InChIKey is FTKYMCXLYPCTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF3NO2/c1-4-5(3-9)2-6(14)13-7(4)15-8(10,11)12/h2H,3H2,1H3,(H,13,14).
What are the key properties of 4-(bromomethyl)-5-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one?
4-(bromomethyl)-5-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one has a molecular weight of 286.05 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-5-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 130111919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).