5-(bromomethyl)-6-ethyl-3-(trifluoromethyl)-1H-pyridin-2-one

C9H9BrF3NO — CID 123514568

IUPAC5-(bromomethyl)-6-ethyl-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESCCc1[nH]c(=O)c(C(F)(F)F)cc1CBr
InChIInChI=1S/C9H9BrF3NO/c1-2-7-5(4-10)3-6(8(15)14-7)9(11,12)13/h3H,2,4H2,1H3,(H,14,15)
InChIKeyOYJSIRWRWLBLIE-UHFFFAOYSA-N
MW284.08 g/mol
LogP2.85
Rot. Bonds2

About 5-(bromomethyl)-6-ethyl-3-(trifluoromethyl)-1H-pyridin-2-one

5-(bromomethyl)-6-ethyl-3-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 123514568) has the molecular formula C9H9BrF3NO and a molecular weight of 284.08 g/mol. Its IUPAC name is 5-(bromomethyl)-6-ethyl-3-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(bromomethyl)-6-ethyl-3-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID123514568
Molecular FormulaC9H9BrF3NO
Molecular Weight284.08 g/mol
Exact Mass282.98
IUPAC Name5-(bromomethyl)-6-ethyl-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESCCc1[nH]c(=O)c(C(F)(F)F)cc1CBr
InChIInChI=1S/C9H9BrF3NO/c1-2-7-5(4-10)3-6(8(15)14-7)9(11,12)13/h3H,2,4H2,1H3,(H,14,15)
InChIKeyOYJSIRWRWLBLIE-UHFFFAOYSA-N
XLogP2.85
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.08
LogP ≤ 52.85
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

4-Bromo-3,5,6-trimethyl-1,2-dihydropyridin-2-one
CID 14203602
3,6-dimethyl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 15210459
5,6-dimethyl-3-(trifluoromethyl)-1H-pyridin-2-one
CID 18723546
5-(2-bromo-1,1-difluoroethyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 21690578
6-propan-2-yl-5-(trifluoromethyl)-1H-pyridin-2-one
CID 59665145
5-ethyl-6-(trifluoromethyl)-1H-pyridin-2-one
CID 68204646
3-(difluoromethyl)-5,6-diethyl-1H-pyridin-2-one
CID 123654562
5-bromo-6-propan-2-yl-3-(trifluoromethyl)-1H-pyridin-2-one
CID 163557557
4,6-Dimethyl-3-(trifluoromethyl)pyridin-2-ol
CID 165595065
4,6-dimethyl-5-(trifluoromethyl)-1H-pyridin-2-one
CID 166536053
3-bromo-6-methyl-5-(trifluoromethyl)-1H-pyridin-2-one
CID 169248960
6-tert-butyl-3-methyl-5-(trifluoromethyl)-1H-pyridin-2-one
CID 169256225

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-6-ethyl-3-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 5-(bromomethyl)-6-ethyl-3-(trifluoromethyl)-1H-pyridin-2-one (CID 123514568) is 5-(bromomethyl)-6-ethyl-3-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(bromomethyl)-6-ethyl-3-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-(bromomethyl)-6-ethyl-3-(trifluoromethyl)-1H-pyridin-2-one is CCc1[nH]c(=O)c(C(F)(F)F)cc1CBr.
What is the InChIKey of 5-(bromomethyl)-6-ethyl-3-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is OYJSIRWRWLBLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF3NO/c1-2-7-5(4-10)3-6(8(15)14-7)9(11,12)13/h3H,2,4H2,1H3,(H,14,15).
What are the key properties of 5-(bromomethyl)-6-ethyl-3-(trifluoromethyl)-1H-pyridin-2-one?
5-(bromomethyl)-6-ethyl-3-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 284.08 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-6-ethyl-3-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 123514568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).