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

C7H7F2NO3 — CID 118826189

IUPAC2-(difluoromethyl)-5-hydroxy-3-(hydroxymethyl)-1H-pyridin-4-one
SMILESO=c1c(O)c[nH]c(C(F)F)c1CO
InChIInChI=1S/C7H7F2NO3/c8-7(9)5-3(2-11)6(13)4(12)1-10-5/h1,7,11-12H,2H2,(H,10,13)
InChIKeyLOZUXRPTXYZPEM-UHFFFAOYSA-N
MW191.13 g/mol
LogP0.51
Rot. Bonds2

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

2-(difluoromethyl)-5-hydroxy-3-(hydroxymethyl)-1H-pyridin-4-one (PubChem CID 118826189) has the molecular formula C7H7F2NO3 and a molecular weight of 191.13 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-hydroxy-3-(hydroxymethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(difluoromethyl)-5-hydroxy-3-(hydroxymethyl)-1H-pyridin-4-one
PubChem CID118826189
Molecular FormulaC7H7F2NO3
Molecular Weight191.13 g/mol
Exact Mass191.04
IUPAC Name2-(difluoromethyl)-5-hydroxy-3-(hydroxymethyl)-1H-pyridin-4-one
SMILESO=c1c(O)c[nH]c(C(F)F)c1CO
InChIInChI=1S/C7H7F2NO3/c8-7(9)5-3(2-11)6(13)4(12)1-10-5/h1,7,11-12H,2H2,(H,10,13)
InChIKeyLOZUXRPTXYZPEM-UHFFFAOYSA-N
XLogP0.51
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.13
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-hydroxy-3-(hydroxymethyl)-1H-pyridin-4-one?
The IUPAC name of 2-(difluoromethyl)-5-hydroxy-3-(hydroxymethyl)-1H-pyridin-4-one (CID 118826189) is 2-(difluoromethyl)-5-hydroxy-3-(hydroxymethyl)-1H-pyridin-4-one.
What is the SMILES notation for 2-(difluoromethyl)-5-hydroxy-3-(hydroxymethyl)-1H-pyridin-4-one?
The canonical SMILES for 2-(difluoromethyl)-5-hydroxy-3-(hydroxymethyl)-1H-pyridin-4-one is O=c1c(O)c[nH]c(C(F)F)c1CO.
What is the InChIKey of 2-(difluoromethyl)-5-hydroxy-3-(hydroxymethyl)-1H-pyridin-4-one?
The InChIKey is LOZUXRPTXYZPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NO3/c8-7(9)5-3(2-11)6(13)4(12)1-10-5/h1,7,11-12H,2H2,(H,10,13).
What are the key properties of 2-(difluoromethyl)-5-hydroxy-3-(hydroxymethyl)-1H-pyridin-4-one?
2-(difluoromethyl)-5-hydroxy-3-(hydroxymethyl)-1H-pyridin-4-one has a molecular weight of 191.13 g/mol, XLogP of 0.51, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-hydroxy-3-(hydroxymethyl)-1H-pyridin-4-one is sourced from PubChem (CID 118826189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).