5-bromo-2-(bromomethyl)-3-(difluoromethyl)-1H-pyridin-4-one

C7H5Br2F2NO — CID 130110232

IUPAC5-bromo-2-(bromomethyl)-3-(difluoromethyl)-1H-pyridin-4-one
SMILESO=c1c(Br)c[nH]c(CBr)c1C(F)F
InChIInChI=1S/C7H5Br2F2NO/c8-1-4-5(7(10)11)6(13)3(9)2-12-4/h2,7H,1H2,(H,12,13)
InChIKeyYHKRVKYLCODPAU-UHFFFAOYSA-N
MW316.93 g/mol
LogP2.97
Rot. Bonds2

About 5-bromo-2-(bromomethyl)-3-(difluoromethyl)-1H-pyridin-4-one

5-bromo-2-(bromomethyl)-3-(difluoromethyl)-1H-pyridin-4-one (PubChem CID 130110232) has the molecular formula C7H5Br2F2NO and a molecular weight of 316.93 g/mol. Its IUPAC name is 5-bromo-2-(bromomethyl)-3-(difluoromethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name5-bromo-2-(bromomethyl)-3-(difluoromethyl)-1H-pyridin-4-one
PubChem CID130110232
Molecular FormulaC7H5Br2F2NO
Molecular Weight316.93 g/mol
Exact Mass314.87
IUPAC Name5-bromo-2-(bromomethyl)-3-(difluoromethyl)-1H-pyridin-4-one
SMILESO=c1c(Br)c[nH]c(CBr)c1C(F)F
InChIInChI=1S/C7H5Br2F2NO/c8-1-4-5(7(10)11)6(13)3(9)2-12-4/h2,7H,1H2,(H,12,13)
InChIKeyYHKRVKYLCODPAU-UHFFFAOYSA-N
XLogP2.97
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.93
LogP ≤ 52.97
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

2-(bromomethyl)-3-(difluoromethyl)-5-fluoro-1H-pyridin-4-one
CID 130079409
2-(bromomethyl)-3-(difluoromethyl)-5-iodo-1H-pyridin-4-one
CID 130082613
2-[5-(bromomethyl)-3-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetonitrile
CID 130084750
3-(difluoromethyl)-2-(hydroxymethyl)-5-methyl-1H-pyridin-4-one
CID 130083878
5-bromo-3-(difluoromethyl)-4-hydroxy-1H-pyridin-2-one
CID 130099978
2-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethyl)-1H-pyridin-4-one
CID 130085038
2-(aminomethyl)-3-(difluoromethyl)-5-nitro-1H-pyridin-4-one
CID 118803016
5-bromo-3-(difluoromethyl)-2-oxo-1H-pyridine-4-sulfonamide
CID 130110670
4-amino-6-(bromomethyl)-5-(difluoromethyl)-1H-pyridin-2-one
CID 130104697
5-(bromomethyl)-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde
CID 130084848
methyl 2-[3-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridin-2-yl]acetate
CID 133106071
5-(bromomethyl)-2-(difluoromethyl)-3-fluoro-1H-pyridin-4-one
CID 130079455

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(bromomethyl)-3-(difluoromethyl)-1H-pyridin-4-one?
The IUPAC name of 5-bromo-2-(bromomethyl)-3-(difluoromethyl)-1H-pyridin-4-one (CID 130110232) is 5-bromo-2-(bromomethyl)-3-(difluoromethyl)-1H-pyridin-4-one.
What is the SMILES notation for 5-bromo-2-(bromomethyl)-3-(difluoromethyl)-1H-pyridin-4-one?
The canonical SMILES for 5-bromo-2-(bromomethyl)-3-(difluoromethyl)-1H-pyridin-4-one is O=c1c(Br)c[nH]c(CBr)c1C(F)F.
What is the InChIKey of 5-bromo-2-(bromomethyl)-3-(difluoromethyl)-1H-pyridin-4-one?
The InChIKey is YHKRVKYLCODPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Br2F2NO/c8-1-4-5(7(10)11)6(13)3(9)2-12-4/h2,7H,1H2,(H,12,13).
What are the key properties of 5-bromo-2-(bromomethyl)-3-(difluoromethyl)-1H-pyridin-4-one?
5-bromo-2-(bromomethyl)-3-(difluoromethyl)-1H-pyridin-4-one has a molecular weight of 316.93 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(bromomethyl)-3-(difluoromethyl)-1H-pyridin-4-one is sourced from PubChem (CID 130110232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).