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

C7H6BrF2NO2 — CID 130100168

IUPAC5-(bromomethyl)-2-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one
SMILESO=c1c(CBr)c[nH]c(C(F)F)c1O
InChIInChI=1S/C7H6BrF2NO2/c8-1-3-2-11-4(7(9)10)6(13)5(3)12/h2,7,13H,1H2,(H,11,12)
InChIKeyOVIUWMBGLDUWBT-UHFFFAOYSA-N
MW254.03 g/mol
LogP1.91
Rot. Bonds2

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

5-(bromomethyl)-2-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one (PubChem CID 130100168) has the molecular formula C7H6BrF2NO2 and a molecular weight of 254.03 g/mol. Its IUPAC name is 5-(bromomethyl)-2-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one.

Molecular Properties

Compound Name5-(bromomethyl)-2-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one
PubChem CID130100168
Molecular FormulaC7H6BrF2NO2
Molecular Weight254.03 g/mol
Exact Mass252.95
IUPAC Name5-(bromomethyl)-2-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one
SMILESO=c1c(CBr)c[nH]c(C(F)F)c1O
InChIInChI=1S/C7H6BrF2NO2/c8-1-3-2-11-4(7(9)10)6(13)5(3)12/h2,7,13H,1H2,(H,11,12)
InChIKeyOVIUWMBGLDUWBT-UHFFFAOYSA-N
XLogP1.91
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.03
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-5-methyl-2-(trifluoromethyl)-1H-pyridin-4-one
CID 91450191
2-(Aminomethyl)-5-(difluoromethyl)-3,4-dihydroxypyridine
CID 118803037
2-(Difluoromethyl)-4,5-dihydroxy-3-methylpyridine
CID 118803429
2-(Difluoromethyl)-3,4-dihydroxy-5-methylpyridine
CID 118820345
5-(Difluoromethyl)-3,4-dihydroxypicolinonitrile
CID 119004520
5-(bromomethyl)-2-(difluoromethyl)-3-fluoro-1H-pyridin-4-one
CID 130079455
5-(bromomethyl)-2-(difluoromethyl)-3-methoxy-1H-pyridin-4-one
CID 130083280
3-bromo-2-(difluoromethyl)-5-hydroxy-1H-pyridin-4-one
CID 130099985
5-bromo-2-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one
CID 130099986
3-(difluoromethyl)-5-hydroxy-2-methyl-1H-pyridin-4-one
CID 130100107
5-(difluoromethyl)-3-hydroxy-2-methyl-1H-pyridin-4-one
CID 130100108
2-(bromomethyl)-5-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one
CID 130100166

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-2-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one?
The IUPAC name of 5-(bromomethyl)-2-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one (CID 130100168) is 5-(bromomethyl)-2-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one.
What is the SMILES notation for 5-(bromomethyl)-2-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one?
The canonical SMILES for 5-(bromomethyl)-2-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one is O=c1c(CBr)c[nH]c(C(F)F)c1O.
What is the InChIKey of 5-(bromomethyl)-2-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one?
The InChIKey is OVIUWMBGLDUWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF2NO2/c8-1-3-2-11-4(7(9)10)6(13)5(3)12/h2,7,13H,1H2,(H,11,12).
What are the key properties of 5-(bromomethyl)-2-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one?
5-(bromomethyl)-2-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one has a molecular weight of 254.03 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-2-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one is sourced from PubChem (CID 130100168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).