3-(difluoromethyl)-6-(hydroxymethyl)-4-methoxy-1H-pyridin-2-one

C8H9F2NO3 — CID 130083414

IUPAC3-(difluoromethyl)-6-(hydroxymethyl)-4-methoxy-1H-pyridin-2-one
SMILESCOc1cc(CO)[nH]c(=O)c1C(F)F
InChIInChI=1S/C8H9F2NO3/c1-14-5-2-4(3-12)11-8(13)6(5)7(9)10/h2,7,12H,3H2,1H3,(H,11,13)
InChIKeyIMGFXPLYXATWGO-UHFFFAOYSA-N
MW205.16 g/mol
LogP0.81
Rot. Bonds3

About 3-(difluoromethyl)-6-(hydroxymethyl)-4-methoxy-1H-pyridin-2-one

3-(difluoromethyl)-6-(hydroxymethyl)-4-methoxy-1H-pyridin-2-one (PubChem CID 130083414) has the molecular formula C8H9F2NO3 and a molecular weight of 205.16 g/mol. Its IUPAC name is 3-(difluoromethyl)-6-(hydroxymethyl)-4-methoxy-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(difluoromethyl)-6-(hydroxymethyl)-4-methoxy-1H-pyridin-2-one
PubChem CID130083414
Molecular FormulaC8H9F2NO3
Molecular Weight205.16 g/mol
Exact Mass205.06
IUPAC Name3-(difluoromethyl)-6-(hydroxymethyl)-4-methoxy-1H-pyridin-2-one
SMILESCOc1cc(CO)[nH]c(=O)c1C(F)F
InChIInChI=1S/C8H9F2NO3/c1-14-5-2-4(3-12)11-8(13)6(5)7(9)10/h2,7,12H,3H2,1H3,(H,11,13)
InChIKeyIMGFXPLYXATWGO-UHFFFAOYSA-N
XLogP0.81
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.16
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(difluoromethyl)-6-(hydroxymethyl)-4-methoxy-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 3-(difluoromethyl)-6-(hydroxymethyl)-4-methoxy-1H-pyridin-2-one?
The IUPAC name of 3-(difluoromethyl)-6-(hydroxymethyl)-4-methoxy-1H-pyridin-2-one (CID 130083414) is 3-(difluoromethyl)-6-(hydroxymethyl)-4-methoxy-1H-pyridin-2-one.
What is the SMILES notation for 3-(difluoromethyl)-6-(hydroxymethyl)-4-methoxy-1H-pyridin-2-one?
The canonical SMILES for 3-(difluoromethyl)-6-(hydroxymethyl)-4-methoxy-1H-pyridin-2-one is COc1cc(CO)[nH]c(=O)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-6-(hydroxymethyl)-4-methoxy-1H-pyridin-2-one?
The InChIKey is IMGFXPLYXATWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO3/c1-14-5-2-4(3-12)11-8(13)6(5)7(9)10/h2,7,12H,3H2,1H3,(H,11,13).
What are the key properties of 3-(difluoromethyl)-6-(hydroxymethyl)-4-methoxy-1H-pyridin-2-one?
3-(difluoromethyl)-6-(hydroxymethyl)-4-methoxy-1H-pyridin-2-one has a molecular weight of 205.16 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-6-(hydroxymethyl)-4-methoxy-1H-pyridin-2-one is sourced from PubChem (CID 130083414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).