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

C7H6BrF2NO2 — CID 130100166

IUPAC2-(bromomethyl)-5-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one
SMILESO=c1c(C(F)F)c[nH]c(CBr)c1O
InChIInChI=1S/C7H6BrF2NO2/c8-1-4-6(13)5(12)3(2-11-4)7(9)10/h2,7,13H,1H2,(H,11,12)
InChIKeyYWAYCBRQUIJMRZ-UHFFFAOYSA-N
MW254.03 g/mol
LogP1.91
Rot. Bonds2

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

2-(bromomethyl)-5-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one (PubChem CID 130100166) has the molecular formula C7H6BrF2NO2 and a molecular weight of 254.03 g/mol. Its IUPAC name is 2-(bromomethyl)-5-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(bromomethyl)-5-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one
PubChem CID130100166
Molecular FormulaC7H6BrF2NO2
Molecular Weight254.03 g/mol
Exact Mass252.95
IUPAC Name2-(bromomethyl)-5-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one
SMILESO=c1c(C(F)F)c[nH]c(CBr)c1O
InChIInChI=1S/C7H6BrF2NO2/c8-1-4-6(13)5(12)3(2-11-4)7(9)10/h2,7,13H,1H2,(H,11,12)
InChIKeyYWAYCBRQUIJMRZ-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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Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-5-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one?
The IUPAC name of 2-(bromomethyl)-5-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one (CID 130100166) is 2-(bromomethyl)-5-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one.
What is the SMILES notation for 2-(bromomethyl)-5-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one?
The canonical SMILES for 2-(bromomethyl)-5-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one is O=c1c(C(F)F)c[nH]c(CBr)c1O.
What is the InChIKey of 2-(bromomethyl)-5-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one?
The InChIKey is YWAYCBRQUIJMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF2NO2/c8-1-4-6(13)5(12)3(2-11-4)7(9)10/h2,7,13H,1H2,(H,11,12).
What are the key properties of 2-(bromomethyl)-5-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one?
2-(bromomethyl)-5-(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 2-(bromomethyl)-5-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one is sourced from PubChem (CID 130100166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).