3-(bromomethyl)-4-(trifluoromethyl)-1H-pyridin-2-one

C7H5BrF3NO — CID 118704140

IUPAC3-(bromomethyl)-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]ccc(C(F)(F)F)c1CBr
InChIInChI=1S/C7H5BrF3NO/c8-3-4-5(7(9,10)11)1-2-12-6(4)13/h1-2H,3H2,(H,12,13)
InChIKeyGFFIKNLZAWWSNX-UHFFFAOYSA-N
MW256.02 g/mol
LogP2.29
Rot. Bonds1

About 3-(bromomethyl)-4-(trifluoromethyl)-1H-pyridin-2-one

3-(bromomethyl)-4-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 118704140) has the molecular formula C7H5BrF3NO and a molecular weight of 256.02 g/mol. Its IUPAC name is 3-(bromomethyl)-4-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(bromomethyl)-4-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID118704140
Molecular FormulaC7H5BrF3NO
Molecular Weight256.02 g/mol
Exact Mass254.95
IUPAC Name3-(bromomethyl)-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]ccc(C(F)(F)F)c1CBr
InChIInChI=1S/C7H5BrF3NO/c8-3-4-5(7(9,10)11)1-2-12-6(4)13/h1-2H,3H2,(H,12,13)
InChIKeyGFFIKNLZAWWSNX-UHFFFAOYSA-N
XLogP2.29
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.02
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-Bromo-4-(trifluoromethyl)pyridin-2-ol
CID 19996518
3,4-Bis(trifluoromethyl)-2-hydroxypyridine
CID 20429828
3-Bromo-2-hydroxy-4-(trifluoromethyl)pyridine
CID 54246279
2(1H)-Pyridinone, 3-methyl-4-(trifluoromethyl)-
CID 91570070
5-bromo-4-methyl-3-(trifluoromethyl)-1H-pyridin-2-one
CID 118024760
5-Bromo-4-(difluoromethyl)pyridin-2-ol
CID 118989703
4-(Difluoromethyl)-3-fluoro-2-hydroxypyridine
CID 130096209
ethane;3-methyl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 145556910
5-bromo-3-methyl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 156284115
4-methyl-3-(trifluoromethyl)-1H-pyridin-2-one
CID 162542173
3-ethenyl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 171825884
3-(Bromomethyl)pyridin-2-ol
CID 54378355

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-(bromomethyl)-4-(trifluoromethyl)-1H-pyridin-2-one (CID 118704140) is 3-(bromomethyl)-4-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(bromomethyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(bromomethyl)-4-(trifluoromethyl)-1H-pyridin-2-one is O=c1[nH]ccc(C(F)(F)F)c1CBr.
What is the InChIKey of 3-(bromomethyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is GFFIKNLZAWWSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF3NO/c8-3-4-5(7(9,10)11)1-2-12-6(4)13/h1-2H,3H2,(H,12,13).
What are the key properties of 3-(bromomethyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
3-(bromomethyl)-4-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 256.02 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-4-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 118704140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).