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

C7H6BrF2NO2 — CID 130100155

IUPAC6-(bromomethyl)-3-(difluoromethyl)-4-hydroxy-1H-pyridin-2-one
SMILESO=c1[nH]c(CBr)cc(O)c1C(F)F
InChIInChI=1S/C7H6BrF2NO2/c8-2-3-1-4(12)5(6(9)10)7(13)11-3/h1,6H,2H2,(H2,11,12,13)
InChIKeyXSBWLMBERBLOKO-UHFFFAOYSA-N
MW254.03 g/mol
LogP1.91
Rot. Bonds2

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

6-(bromomethyl)-3-(difluoromethyl)-4-hydroxy-1H-pyridin-2-one (PubChem CID 130100155) has the molecular formula C7H6BrF2NO2 and a molecular weight of 254.03 g/mol. Its IUPAC name is 6-(bromomethyl)-3-(difluoromethyl)-4-hydroxy-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(bromomethyl)-3-(difluoromethyl)-4-hydroxy-1H-pyridin-2-one
PubChem CID130100155
Molecular FormulaC7H6BrF2NO2
Molecular Weight254.03 g/mol
Exact Mass252.95
IUPAC Name6-(bromomethyl)-3-(difluoromethyl)-4-hydroxy-1H-pyridin-2-one
SMILESO=c1[nH]c(CBr)cc(O)c1C(F)F
InChIInChI=1S/C7H6BrF2NO2/c8-2-3-1-4(12)5(6(9)10)7(13)11-3/h1,6H,2H2,(H2,11,12,13)
InChIKeyXSBWLMBERBLOKO-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

2-[5-(difluoromethyl)-4-hydroxy-6-oxo-1H-pyridin-2-yl]acetonitrile
CID 130100201
6-(bromomethyl)-3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile
CID 130076614
4-(bromomethyl)-3-(difluoromethyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 130084707
4-(bromomethyl)-3-(difluoromethyl)-6-iodo-1H-pyridin-2-one
CID 118835502
3-(difluoromethyl)-6-(hydroxymethyl)-4-methoxy-1H-pyridin-2-one
CID 130083414
6-(aminomethyl)-3-(difluoromethyl)-4-iodo-1H-pyridin-2-one
CID 130082578
methyl 2-[5-(difluoromethyl)-4-iodo-6-oxo-1H-pyridin-2-yl]acetate
CID 133103677
5-(bromomethyl)-4-(difluoromethyl)-6-hydroxy-1H-pyridin-2-one
CID 130100163
4-amino-6-(bromomethyl)-5-(difluoromethyl)-1H-pyridin-2-one
CID 130104697
6-bromo-3-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one
CID 119013283
3-(difluoromethyl)-4,6-difluoro-1H-pyridin-2-one
CID 130099612
5-(difluoromethyl)-4-hydroxy-6-nitro-1H-pyridin-2-one
CID 130100117

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-3-(difluoromethyl)-4-hydroxy-1H-pyridin-2-one?
The IUPAC name of 6-(bromomethyl)-3-(difluoromethyl)-4-hydroxy-1H-pyridin-2-one (CID 130100155) is 6-(bromomethyl)-3-(difluoromethyl)-4-hydroxy-1H-pyridin-2-one.
What is the SMILES notation for 6-(bromomethyl)-3-(difluoromethyl)-4-hydroxy-1H-pyridin-2-one?
The canonical SMILES for 6-(bromomethyl)-3-(difluoromethyl)-4-hydroxy-1H-pyridin-2-one is O=c1[nH]c(CBr)cc(O)c1C(F)F.
What is the InChIKey of 6-(bromomethyl)-3-(difluoromethyl)-4-hydroxy-1H-pyridin-2-one?
The InChIKey is XSBWLMBERBLOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF2NO2/c8-2-3-1-4(12)5(6(9)10)7(13)11-3/h1,6H,2H2,(H2,11,12,13).
What are the key properties of 6-(bromomethyl)-3-(difluoromethyl)-4-hydroxy-1H-pyridin-2-one?
6-(bromomethyl)-3-(difluoromethyl)-4-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 6-(bromomethyl)-3-(difluoromethyl)-4-hydroxy-1H-pyridin-2-one is sourced from PubChem (CID 130100155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).