1-(2,2-difluoroethyl)-3-hydroxypyridin-4-one

C7H7F2NO2 — CID 88984912

IUPAC1-(2,2-difluoroethyl)-3-hydroxypyridin-4-one
SMILESO=c1ccn(CC(F)F)cc1O
InChIInChI=1S/C7H7F2NO2/c8-7(9)4-10-2-1-5(11)6(12)3-10/h1-3,7,12H,4H2
InChIKeyBMSYBABIIPEPOZ-UHFFFAOYSA-N
MW175.13 g/mol
LogP0.82
Rot. Bonds2

About 1-(2,2-difluoroethyl)-3-hydroxypyridin-4-one

1-(2,2-difluoroethyl)-3-hydroxypyridin-4-one (PubChem CID 88984912) has the molecular formula C7H7F2NO2 and a molecular weight of 175.13 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3-hydroxypyridin-4-one.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3-hydroxypyridin-4-one
PubChem CID88984912
Molecular FormulaC7H7F2NO2
Molecular Weight175.13 g/mol
Exact Mass175.04
IUPAC Name1-(2,2-difluoroethyl)-3-hydroxypyridin-4-one
SMILESO=c1ccn(CC(F)F)cc1O
InChIInChI=1S/C7H7F2NO2/c8-7(9)4-10-2-1-5(11)6(12)3-10/h1-3,7,12H,4H2
InChIKeyBMSYBABIIPEPOZ-UHFFFAOYSA-N
XLogP0.82
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.13
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,2-difluoroethyl)-3-hydroxypyridin-4-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 1-(2,2-difluoroethyl)-3-hydroxypyridin-4-one?
The IUPAC name of 1-(2,2-difluoroethyl)-3-hydroxypyridin-4-one (CID 88984912) is 1-(2,2-difluoroethyl)-3-hydroxypyridin-4-one.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3-hydroxypyridin-4-one?
The canonical SMILES for 1-(2,2-difluoroethyl)-3-hydroxypyridin-4-one is O=c1ccn(CC(F)F)cc1O.
What is the InChIKey of 1-(2,2-difluoroethyl)-3-hydroxypyridin-4-one?
The InChIKey is BMSYBABIIPEPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NO2/c8-7(9)4-10-2-1-5(11)6(12)3-10/h1-3,7,12H,4H2.
What are the key properties of 1-(2,2-difluoroethyl)-3-hydroxypyridin-4-one?
1-(2,2-difluoroethyl)-3-hydroxypyridin-4-one has a molecular weight of 175.13 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-3-hydroxypyridin-4-one is sourced from PubChem (CID 88984912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).