2-(bromomethyl)-6-(difluoromethyl)-3-fluoro-1H-pyridin-4-one

C7H5BrF3NO — CID 118821511

IUPAC2-(bromomethyl)-6-(difluoromethyl)-3-fluoro-1H-pyridin-4-one
SMILESO=c1cc(C(F)F)[nH]c(CBr)c1F
InChIInChI=1S/C7H5BrF3NO/c8-2-4-6(9)5(13)1-3(12-4)7(10)11/h1,7H,2H2,(H,12,13)
InChIKeyKIHBUTMVHHPRIK-UHFFFAOYSA-N
MW256.02 g/mol
LogP2.35
Rot. Bonds2

About 2-(bromomethyl)-6-(difluoromethyl)-3-fluoro-1H-pyridin-4-one

2-(bromomethyl)-6-(difluoromethyl)-3-fluoro-1H-pyridin-4-one (PubChem CID 118821511) has the molecular formula C7H5BrF3NO and a molecular weight of 256.02 g/mol. Its IUPAC name is 2-(bromomethyl)-6-(difluoromethyl)-3-fluoro-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(bromomethyl)-6-(difluoromethyl)-3-fluoro-1H-pyridin-4-one
PubChem CID118821511
Molecular FormulaC7H5BrF3NO
Molecular Weight256.02 g/mol
Exact Mass254.95
IUPAC Name2-(bromomethyl)-6-(difluoromethyl)-3-fluoro-1H-pyridin-4-one
SMILESO=c1cc(C(F)F)[nH]c(CBr)c1F
InChIInChI=1S/C7H5BrF3NO/c8-2-4-6(9)5(13)1-3(12-4)7(10)11/h1,7H,2H2,(H,12,13)
InChIKeyKIHBUTMVHHPRIK-UHFFFAOYSA-N
XLogP2.35
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.02
LogP ≤ 52.35
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

6-bromo-3-fluoro-2-methyl-1H-pyridin-4-one
CID 146287348
2-Methyl-6-trifluoromethyl-pyridin-4-ol
CID 91926585
2-Bromo-4-hydroxy-6-(trifluoromethyl)pyridine
CID 118704105
2,3-Dibromo-6-(difluoromethyl)-4-hydroxypyridine
CID 118826445
2-(Bromomethyl)-3-chloro-6-(difluoromethyl)-4-hydroxypyridine
CID 118843830
2-(Bromomethyl)-6-(difluoromethyl)-3,4-dihydroxypyridine
CID 118843941
2-Bromo-3-(difluoromethyl)-6-methylpyridin-4-ol
CID 118992112
2-Bromo-6-(difluoromethyl)-3-fluoropyridin-4-ol
CID 118993165
2-Bromo-6-(difluoromethyl)-3-(trifluoromethyl)pyridin-4-ol
CID 118997197
2-Bromo-6-(difluoromethyl)-3-methylpyridin-4-ol
CID 119002782
2-Bromo-3-(bromomethyl)-6-(difluoromethyl)pyridin-4-ol
CID 119005516
2-Bromo-3-chloro-6-(difluoromethyl)pyridin-4-ol
CID 119005568

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-6-(difluoromethyl)-3-fluoro-1H-pyridin-4-one?
The IUPAC name of 2-(bromomethyl)-6-(difluoromethyl)-3-fluoro-1H-pyridin-4-one (CID 118821511) is 2-(bromomethyl)-6-(difluoromethyl)-3-fluoro-1H-pyridin-4-one.
What is the SMILES notation for 2-(bromomethyl)-6-(difluoromethyl)-3-fluoro-1H-pyridin-4-one?
The canonical SMILES for 2-(bromomethyl)-6-(difluoromethyl)-3-fluoro-1H-pyridin-4-one is O=c1cc(C(F)F)[nH]c(CBr)c1F.
What is the InChIKey of 2-(bromomethyl)-6-(difluoromethyl)-3-fluoro-1H-pyridin-4-one?
The InChIKey is KIHBUTMVHHPRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF3NO/c8-2-4-6(9)5(13)1-3(12-4)7(10)11/h1,7H,2H2,(H,12,13).
What are the key properties of 2-(bromomethyl)-6-(difluoromethyl)-3-fluoro-1H-pyridin-4-one?
2-(bromomethyl)-6-(difluoromethyl)-3-fluoro-1H-pyridin-4-one has a molecular weight of 256.02 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-6-(difluoromethyl)-3-fluoro-1H-pyridin-4-one is sourced from PubChem (CID 118821511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).