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

C7H7F2NO2 — CID 118806283

IUPAC4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one
SMILESO=c1cc(C(F)F)c(CO)c[nH]1
InChIInChI=1S/C7H7F2NO2/c8-7(9)5-1-6(12)10-2-4(5)3-11/h1-2,7,11H,3H2,(H,10,12)
InChIKeyQNGVRMPCXWCTMG-UHFFFAOYSA-N
MW175.13 g/mol
LogP0.80
Rot. Bonds2

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

4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one (PubChem CID 118806283) has the molecular formula C7H7F2NO2 and a molecular weight of 175.13 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one
PubChem CID118806283
Molecular FormulaC7H7F2NO2
Molecular Weight175.13 g/mol
Exact Mass175.04
IUPAC Name4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one
SMILESO=c1cc(C(F)F)c(CO)c[nH]1
InChIInChI=1S/C7H7F2NO2/c8-7(9)5-1-6(12)10-2-4(5)3-11/h1-2,7,11H,3H2,(H,10,12)
InChIKeyQNGVRMPCXWCTMG-UHFFFAOYSA-N
XLogP0.80
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.13
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(difluoromethyl)-5-(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 4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one?
The IUPAC name of 4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one (CID 118806283) is 4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one?
The canonical SMILES for 4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one is O=c1cc(C(F)F)c(CO)c[nH]1.
What is the InChIKey of 4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one?
The InChIKey is QNGVRMPCXWCTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NO2/c8-7(9)5-1-6(12)10-2-4(5)3-11/h1-2,7,11H,3H2,(H,10,12).
What are the key properties of 4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one?
4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one has a molecular weight of 175.13 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one is sourced from PubChem (CID 118806283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).