5-(bromomethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one

C7H5BrF3NO2 — CID 130092833

IUPAC5-(bromomethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one
SMILESO=c1[nH]cc(CBr)cc1OC(F)(F)F
InChIInChI=1S/C7H5BrF3NO2/c8-2-4-1-5(6(13)12-3-4)14-7(9,10)11/h1,3H,2H2,(H,12,13)
InChIKeyRBPOFKVLVAFPRB-UHFFFAOYSA-N
MW272.02 g/mol
LogP2.17
Rot. Bonds2

About 5-(bromomethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one

5-(bromomethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one (PubChem CID 130092833) has the molecular formula C7H5BrF3NO2 and a molecular weight of 272.02 g/mol. Its IUPAC name is 5-(bromomethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(bromomethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one
PubChem CID130092833
Molecular FormulaC7H5BrF3NO2
Molecular Weight272.02 g/mol
Exact Mass270.95
IUPAC Name5-(bromomethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one
SMILESO=c1[nH]cc(CBr)cc1OC(F)(F)F
InChIInChI=1S/C7H5BrF3NO2/c8-2-4-1-5(6(13)12-3-4)14-7(9,10)11/h1,3H,2H2,(H,12,13)
InChIKeyRBPOFKVLVAFPRB-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-Hydroxy-3-methoxy-5-(trifluoromethyl)pyridine
CID 23049010
5-Bromo-3-(difluoromethoxy)pyridin-2-ol
CID 66617441
5-bromo-3-(difluoromethoxy)-4-methyl-1H-pyridin-2-one
CID 118025202
5-bromo-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 130089369
5-ethenyl-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 177032160
4-Bromo-5-(difluoromethyl)pyridine-2,3-diol
CID 118800462
4-bromo-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-2-one
CID 118806028
4-Bromo-5-(difluoromethyl)-3-(trifluoromethoxy)pyridin-2-ol
CID 118806030
4-Bromo-5-(difluoromethyl)-3-methoxypyridin-2-ol
CID 118811677
4-(Difluoromethyl)-5-methyl-3-(trifluoromethoxy)pyridin-2-ol
CID 118818112
4-Fluoro-5-(difluoromethyl)-2-hydroxy-3-(trifluoromethoxy)pyridine
CID 118833182
5-(difluoromethyl)-4-fluoro-3-methoxy-1H-pyridin-2-one
CID 130079268

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one?
The IUPAC name of 5-(bromomethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one (CID 130092833) is 5-(bromomethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 5-(bromomethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one?
The canonical SMILES for 5-(bromomethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one is O=c1[nH]cc(CBr)cc1OC(F)(F)F.
What is the InChIKey of 5-(bromomethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one?
The InChIKey is RBPOFKVLVAFPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF3NO2/c8-2-4-1-5(6(13)12-3-4)14-7(9,10)11/h1,3H,2H2,(H,12,13).
What are the key properties of 5-(bromomethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one?
5-(bromomethyl)-3-(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 5-(bromomethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 130092833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).