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

C7H6BrF2NO2 — CID 130100167

IUPAC3-(bromomethyl)-2-(difluoromethyl)-5-hydroxy-1H-pyridin-4-one
SMILESO=c1c(O)c[nH]c(C(F)F)c1CBr
InChIInChI=1S/C7H6BrF2NO2/c8-1-3-5(7(9)10)11-2-4(12)6(3)13/h2,7,12H,1H2,(H,11,13)
InChIKeyDQLIWFARWZYHJS-UHFFFAOYSA-N
MW254.03 g/mol
LogP1.91
Rot. Bonds2

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

3-(bromomethyl)-2-(difluoromethyl)-5-hydroxy-1H-pyridin-4-one (PubChem CID 130100167) has the molecular formula C7H6BrF2NO2 and a molecular weight of 254.03 g/mol. Its IUPAC name is 3-(bromomethyl)-2-(difluoromethyl)-5-hydroxy-1H-pyridin-4-one.

Molecular Properties

Compound Name3-(bromomethyl)-2-(difluoromethyl)-5-hydroxy-1H-pyridin-4-one
PubChem CID130100167
Molecular FormulaC7H6BrF2NO2
Molecular Weight254.03 g/mol
Exact Mass252.95
IUPAC Name3-(bromomethyl)-2-(difluoromethyl)-5-hydroxy-1H-pyridin-4-one
SMILESO=c1c(O)c[nH]c(C(F)F)c1CBr
InChIInChI=1S/C7H6BrF2NO2/c8-1-3-5(7(9)10)11-2-4(12)6(3)13/h2,7,12H,1H2,(H,11,13)
InChIKeyDQLIWFARWZYHJS-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 3-(bromomethyl)-2-(difluoromethyl)-5-hydroxy-1H-pyridin-4-one?
The IUPAC name of 3-(bromomethyl)-2-(difluoromethyl)-5-hydroxy-1H-pyridin-4-one (CID 130100167) is 3-(bromomethyl)-2-(difluoromethyl)-5-hydroxy-1H-pyridin-4-one.
What is the SMILES notation for 3-(bromomethyl)-2-(difluoromethyl)-5-hydroxy-1H-pyridin-4-one?
The canonical SMILES for 3-(bromomethyl)-2-(difluoromethyl)-5-hydroxy-1H-pyridin-4-one is O=c1c(O)c[nH]c(C(F)F)c1CBr.
What is the InChIKey of 3-(bromomethyl)-2-(difluoromethyl)-5-hydroxy-1H-pyridin-4-one?
The InChIKey is DQLIWFARWZYHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF2NO2/c8-1-3-5(7(9)10)11-2-4(12)6(3)13/h2,7,12H,1H2,(H,11,13).
What are the key properties of 3-(bromomethyl)-2-(difluoromethyl)-5-hydroxy-1H-pyridin-4-one?
3-(bromomethyl)-2-(difluoromethyl)-5-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 3-(bromomethyl)-2-(difluoromethyl)-5-hydroxy-1H-pyridin-4-one is sourced from PubChem (CID 130100167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).