2-(difluoromethyl)-3-hydroxy-1-methylpyridin-4-one

C7H7F2NO2 — CID 67281488

IUPAC2-(difluoromethyl)-3-hydroxy-1-methylpyridin-4-one
SMILESCn1ccc(=O)c(O)c1C(F)F
InChIInChI=1S/C7H7F2NO2/c1-10-3-2-4(11)6(12)5(10)7(8)9/h2-3,7,12H,1H3
InChIKeyMPRBHAKGIUAGLP-UHFFFAOYSA-N
MW175.13 g/mol
LogP1.03
Rot. Bonds1

About 2-(difluoromethyl)-3-hydroxy-1-methylpyridin-4-one

2-(difluoromethyl)-3-hydroxy-1-methylpyridin-4-one (PubChem CID 67281488) has the molecular formula C7H7F2NO2 and a molecular weight of 175.13 g/mol. Its IUPAC name is 2-(difluoromethyl)-3-hydroxy-1-methylpyridin-4-one.

Molecular Properties

Compound Name2-(difluoromethyl)-3-hydroxy-1-methylpyridin-4-one
PubChem CID67281488
Molecular FormulaC7H7F2NO2
Molecular Weight175.13 g/mol
Exact Mass175.04
IUPAC Name2-(difluoromethyl)-3-hydroxy-1-methylpyridin-4-one
SMILESCn1ccc(=O)c(O)c1C(F)F
InChIInChI=1S/C7H7F2NO2/c1-10-3-2-4(11)6(12)5(10)7(8)9/h2-3,7,12H,1H3
InChIKeyMPRBHAKGIUAGLP-UHFFFAOYSA-N
XLogP1.03
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.13
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(difluoromethyl)-3-hydroxy-1-methylpyridin-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)-3-hydroxy-1-methylpyridin-4-one?
The IUPAC name of 2-(difluoromethyl)-3-hydroxy-1-methylpyridin-4-one (CID 67281488) is 2-(difluoromethyl)-3-hydroxy-1-methylpyridin-4-one.
What is the SMILES notation for 2-(difluoromethyl)-3-hydroxy-1-methylpyridin-4-one?
The canonical SMILES for 2-(difluoromethyl)-3-hydroxy-1-methylpyridin-4-one is Cn1ccc(=O)c(O)c1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-3-hydroxy-1-methylpyridin-4-one?
The InChIKey is MPRBHAKGIUAGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NO2/c1-10-3-2-4(11)6(12)5(10)7(8)9/h2-3,7,12H,1H3.
What are the key properties of 2-(difluoromethyl)-3-hydroxy-1-methylpyridin-4-one?
2-(difluoromethyl)-3-hydroxy-1-methylpyridin-4-one has a molecular weight of 175.13 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-3-hydroxy-1-methylpyridin-4-one is sourced from PubChem (CID 67281488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).