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

C7H7F2NO3 — CID 130100212

IUPAC5-(difluoromethyl)-3-hydroxy-4-(hydroxymethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(C(F)F)c(CO)c1O
InChIInChI=1S/C7H7F2NO3/c8-6(9)3-1-10-7(13)5(12)4(3)2-11/h1,6,11-12H,2H2,(H,10,13)
InChIKeyWFPPZGDLXYENCW-UHFFFAOYSA-N
MW191.13 g/mol
LogP0.51
Rot. Bonds2

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

5-(difluoromethyl)-3-hydroxy-4-(hydroxymethyl)-1H-pyridin-2-one (PubChem CID 130100212) has the molecular formula C7H7F2NO3 and a molecular weight of 191.13 g/mol. Its IUPAC name is 5-(difluoromethyl)-3-hydroxy-4-(hydroxymethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(difluoromethyl)-3-hydroxy-4-(hydroxymethyl)-1H-pyridin-2-one
PubChem CID130100212
Molecular FormulaC7H7F2NO3
Molecular Weight191.13 g/mol
Exact Mass191.04
IUPAC Name5-(difluoromethyl)-3-hydroxy-4-(hydroxymethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(C(F)F)c(CO)c1O
InChIInChI=1S/C7H7F2NO3/c8-6(9)3-1-10-7(13)5(12)4(3)2-11/h1,6,11-12H,2H2,(H,10,13)
InChIKeyWFPPZGDLXYENCW-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-3-hydroxy-4-(hydroxymethyl)-1H-pyridin-2-one?
The IUPAC name of 5-(difluoromethyl)-3-hydroxy-4-(hydroxymethyl)-1H-pyridin-2-one (CID 130100212) is 5-(difluoromethyl)-3-hydroxy-4-(hydroxymethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(difluoromethyl)-3-hydroxy-4-(hydroxymethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-(difluoromethyl)-3-hydroxy-4-(hydroxymethyl)-1H-pyridin-2-one is O=c1[nH]cc(C(F)F)c(CO)c1O.
What is the InChIKey of 5-(difluoromethyl)-3-hydroxy-4-(hydroxymethyl)-1H-pyridin-2-one?
The InChIKey is WFPPZGDLXYENCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NO3/c8-6(9)3-1-10-7(13)5(12)4(3)2-11/h1,6,11-12H,2H2,(H,10,13).
What are the key properties of 5-(difluoromethyl)-3-hydroxy-4-(hydroxymethyl)-1H-pyridin-2-one?
5-(difluoromethyl)-3-hydroxy-4-(hydroxymethyl)-1H-pyridin-2-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 5-(difluoromethyl)-3-hydroxy-4-(hydroxymethyl)-1H-pyridin-2-one is sourced from PubChem (CID 130100212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).