2-(bromomethyl)-3-fluoro-5-(trifluoromethyl)-1H-pyridin-4-one

C7H4BrF4NO — CID 175524473

IUPAC2-(bromomethyl)-3-fluoro-5-(trifluoromethyl)-1H-pyridin-4-one
SMILESO=c1c(C(F)(F)F)c[nH]c(CBr)c1F
InChIInChI=1S/C7H4BrF4NO/c8-1-4-5(9)6(14)3(2-13-4)7(10,11)12/h2H,1H2,(H,13,14)
InChIKeyVLWZEOYYDRHERI-UHFFFAOYSA-N
MW274.01 g/mol
LogP2.43
Rot. Bonds1

About 2-(bromomethyl)-3-fluoro-5-(trifluoromethyl)-1H-pyridin-4-one

2-(bromomethyl)-3-fluoro-5-(trifluoromethyl)-1H-pyridin-4-one (PubChem CID 175524473) has the molecular formula C7H4BrF4NO and a molecular weight of 274.01 g/mol. Its IUPAC name is 2-(bromomethyl)-3-fluoro-5-(trifluoromethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(bromomethyl)-3-fluoro-5-(trifluoromethyl)-1H-pyridin-4-one
PubChem CID175524473
Molecular FormulaC7H4BrF4NO
Molecular Weight274.01 g/mol
Exact Mass272.94
IUPAC Name2-(bromomethyl)-3-fluoro-5-(trifluoromethyl)-1H-pyridin-4-one
SMILESO=c1c(C(F)(F)F)c[nH]c(CBr)c1F
InChIInChI=1S/C7H4BrF4NO/c8-1-4-5(9)6(14)3(2-13-4)7(10,11)12/h2H,1H2,(H,13,14)
InChIKeyVLWZEOYYDRHERI-UHFFFAOYSA-N
XLogP2.43
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.01
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-3-fluoro-5-(trifluoromethyl)-1H-pyridin-4-one?
The IUPAC name of 2-(bromomethyl)-3-fluoro-5-(trifluoromethyl)-1H-pyridin-4-one (CID 175524473) is 2-(bromomethyl)-3-fluoro-5-(trifluoromethyl)-1H-pyridin-4-one.
What is the SMILES notation for 2-(bromomethyl)-3-fluoro-5-(trifluoromethyl)-1H-pyridin-4-one?
The canonical SMILES for 2-(bromomethyl)-3-fluoro-5-(trifluoromethyl)-1H-pyridin-4-one is O=c1c(C(F)(F)F)c[nH]c(CBr)c1F.
What is the InChIKey of 2-(bromomethyl)-3-fluoro-5-(trifluoromethyl)-1H-pyridin-4-one?
The InChIKey is VLWZEOYYDRHERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF4NO/c8-1-4-5(9)6(14)3(2-13-4)7(10,11)12/h2H,1H2,(H,13,14).
What are the key properties of 2-(bromomethyl)-3-fluoro-5-(trifluoromethyl)-1H-pyridin-4-one?
2-(bromomethyl)-3-fluoro-5-(trifluoromethyl)-1H-pyridin-4-one has a molecular weight of 274.01 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-3-fluoro-5-(trifluoromethyl)-1H-pyridin-4-one is sourced from PubChem (CID 175524473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).