5-(bromomethyl)-4-(difluoromethyl)-6-hydroxy-1H-pyridin-2-one

C7H6BrF2NO2 — CID 130100163

IUPAC5-(bromomethyl)-4-(difluoromethyl)-6-hydroxy-1H-pyridin-2-one
SMILESO=c1cc(C(F)F)c(CBr)c(O)[nH]1
InChIInChI=1S/C7H6BrF2NO2/c8-2-4-3(6(9)10)1-5(12)11-7(4)13/h1,6H,2H2,(H2,11,12,13)
InChIKeyUXZUCSNWZQOHBU-UHFFFAOYSA-N
MW254.03 g/mol
LogP1.91
Rot. Bonds2

About 5-(bromomethyl)-4-(difluoromethyl)-6-hydroxy-1H-pyridin-2-one

5-(bromomethyl)-4-(difluoromethyl)-6-hydroxy-1H-pyridin-2-one (PubChem CID 130100163) has the molecular formula C7H6BrF2NO2 and a molecular weight of 254.03 g/mol. Its IUPAC name is 5-(bromomethyl)-4-(difluoromethyl)-6-hydroxy-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(bromomethyl)-4-(difluoromethyl)-6-hydroxy-1H-pyridin-2-one
PubChem CID130100163
Molecular FormulaC7H6BrF2NO2
Molecular Weight254.03 g/mol
Exact Mass252.95
IUPAC Name5-(bromomethyl)-4-(difluoromethyl)-6-hydroxy-1H-pyridin-2-one
SMILESO=c1cc(C(F)F)c(CBr)c(O)[nH]1
InChIInChI=1S/C7H6BrF2NO2/c8-2-4-3(6(9)10)1-5(12)11-7(4)13/h1,6H,2H2,(H2,11,12,13)
InChIKeyUXZUCSNWZQOHBU-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

methyl 3-(bromomethyl)-4-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylate
CID 130084964
6-amino-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one
CID 119016905
5-amino-6-(bromomethyl)-4-(difluoromethyl)-1H-pyridin-2-one
CID 130104680
6-(chloromethyl)-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one
CID 118849612
5-(bromomethyl)-6-(difluoromethyl)-4-iodo-1H-pyridin-2-one
CID 130082637
methyl 2-(bromomethyl)-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylate
CID 130084940
methyl 5-(bromomethyl)-4-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylate
CID 130084961
2-[4-(difluoromethyl)-2-fluoro-6-oxo-1H-pyridin-3-yl]acetonitrile
CID 118835128
2-[4-(difluoromethyl)-2-methyl-6-oxo-1H-pyridin-3-yl]acetonitrile
CID 118834226
3-(aminomethyl)-6-bromo-4-(difluoromethyl)-1H-pyridin-2-one
CID 130110189
5-bromo-6-(chloromethyl)-4-(difluoromethyl)-1H-pyridin-2-one
CID 130110248
6-bromo-4-(difluoromethyl)-5-methyl-1H-pyridin-2-one
CID 130110088

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-4-(difluoromethyl)-6-hydroxy-1H-pyridin-2-one?
The IUPAC name of 5-(bromomethyl)-4-(difluoromethyl)-6-hydroxy-1H-pyridin-2-one (CID 130100163) is 5-(bromomethyl)-4-(difluoromethyl)-6-hydroxy-1H-pyridin-2-one.
What is the SMILES notation for 5-(bromomethyl)-4-(difluoromethyl)-6-hydroxy-1H-pyridin-2-one?
The canonical SMILES for 5-(bromomethyl)-4-(difluoromethyl)-6-hydroxy-1H-pyridin-2-one is O=c1cc(C(F)F)c(CBr)c(O)[nH]1.
What is the InChIKey of 5-(bromomethyl)-4-(difluoromethyl)-6-hydroxy-1H-pyridin-2-one?
The InChIKey is UXZUCSNWZQOHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF2NO2/c8-2-4-3(6(9)10)1-5(12)11-7(4)13/h1,6H,2H2,(H2,11,12,13).
What are the key properties of 5-(bromomethyl)-4-(difluoromethyl)-6-hydroxy-1H-pyridin-2-one?
5-(bromomethyl)-4-(difluoromethyl)-6-hydroxy-1H-pyridin-2-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)-4-(difluoromethyl)-6-hydroxy-1H-pyridin-2-one is sourced from PubChem (CID 130100163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).