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

C8H9F2NO2 — CID 118809188

IUPAC2-(difluoromethyl)-5-(hydroxymethyl)-3-methyl-1H-pyridin-4-one
SMILESCc1c(C(F)F)[nH]cc(CO)c1=O
InChIInChI=1S/C8H9F2NO2/c1-4-6(8(9)10)11-2-5(3-12)7(4)13/h2,8,12H,3H2,1H3,(H,11,13)
InChIKeyHLLXCLJTEBNPRL-UHFFFAOYSA-N
MW189.16 g/mol
LogP1.11
Rot. Bonds2

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

2-(difluoromethyl)-5-(hydroxymethyl)-3-methyl-1H-pyridin-4-one (PubChem CID 118809188) has the molecular formula C8H9F2NO2 and a molecular weight of 189.16 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-(hydroxymethyl)-3-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(difluoromethyl)-5-(hydroxymethyl)-3-methyl-1H-pyridin-4-one
PubChem CID118809188
Molecular FormulaC8H9F2NO2
Molecular Weight189.16 g/mol
Exact Mass189.06
IUPAC Name2-(difluoromethyl)-5-(hydroxymethyl)-3-methyl-1H-pyridin-4-one
SMILESCc1c(C(F)F)[nH]cc(CO)c1=O
InChIInChI=1S/C8H9F2NO2/c1-4-6(8(9)10)11-2-5(3-12)7(4)13/h2,8,12H,3H2,1H3,(H,11,13)
InChIKeyHLLXCLJTEBNPRL-UHFFFAOYSA-N
XLogP1.11
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.16
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(difluoromethyl)-5-(hydroxymethyl)-3-methyl-1H-pyridin-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 2-(difluoromethyl)-5-(hydroxymethyl)-3-methyl-1H-pyridin-4-one?
The IUPAC name of 2-(difluoromethyl)-5-(hydroxymethyl)-3-methyl-1H-pyridin-4-one (CID 118809188) is 2-(difluoromethyl)-5-(hydroxymethyl)-3-methyl-1H-pyridin-4-one.
What is the SMILES notation for 2-(difluoromethyl)-5-(hydroxymethyl)-3-methyl-1H-pyridin-4-one?
The canonical SMILES for 2-(difluoromethyl)-5-(hydroxymethyl)-3-methyl-1H-pyridin-4-one is Cc1c(C(F)F)[nH]cc(CO)c1=O.
What is the InChIKey of 2-(difluoromethyl)-5-(hydroxymethyl)-3-methyl-1H-pyridin-4-one?
The InChIKey is HLLXCLJTEBNPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO2/c1-4-6(8(9)10)11-2-5(3-12)7(4)13/h2,8,12H,3H2,1H3,(H,11,13).
What are the key properties of 2-(difluoromethyl)-5-(hydroxymethyl)-3-methyl-1H-pyridin-4-one?
2-(difluoromethyl)-5-(hydroxymethyl)-3-methyl-1H-pyridin-4-one has a molecular weight of 189.16 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-(hydroxymethyl)-3-methyl-1H-pyridin-4-one is sourced from PubChem (CID 118809188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).