5-(difluoromethyl)-4-hydroxy-3-methoxy-1H-pyridin-2-one

C7H7F2NO3 — CID 130100079

IUPAC5-(difluoromethyl)-4-hydroxy-3-methoxy-1H-pyridin-2-one
SMILESCOc1c(O)c(C(F)F)c[nH]c1=O
InChIInChI=1S/C7H7F2NO3/c1-13-5-4(11)3(6(8)9)2-10-7(5)12/h2,6H,1H3,(H2,10,11,12)
InChIKeyGBNKHCYBSJHBCG-UHFFFAOYSA-N
MW191.13 g/mol
LogP1.03
Rot. Bonds2

About 5-(difluoromethyl)-4-hydroxy-3-methoxy-1H-pyridin-2-one

5-(difluoromethyl)-4-hydroxy-3-methoxy-1H-pyridin-2-one (PubChem CID 130100079) has the molecular formula C7H7F2NO3 and a molecular weight of 191.13 g/mol. Its IUPAC name is 5-(difluoromethyl)-4-hydroxy-3-methoxy-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(difluoromethyl)-4-hydroxy-3-methoxy-1H-pyridin-2-one
PubChem CID130100079
Molecular FormulaC7H7F2NO3
Molecular Weight191.13 g/mol
Exact Mass191.04
IUPAC Name5-(difluoromethyl)-4-hydroxy-3-methoxy-1H-pyridin-2-one
SMILESCOc1c(O)c(C(F)F)c[nH]c1=O
InChIInChI=1S/C7H7F2NO3/c1-13-5-4(11)3(6(8)9)2-10-7(5)12/h2,6H,1H3,(H2,10,11,12)
InChIKeyGBNKHCYBSJHBCG-UHFFFAOYSA-N
XLogP1.03
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.13
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(difluoromethyl)-4-hydroxy-3-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

Related Compounds

2-Hydroxy-3-methoxy-5-(trifluoromethyl)pyridine
CID 23049010
3,4-dihydroxy-5-(trifluoromethyl)-1H-pyridin-2-one
CID 144476432
3-methoxy-5-methyl-4-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one
CID 154508416
boric acid;3,4-dihydroxy-5-(trifluoromethyl)-1H-pyridin-2-one
CID 158407453
4-(Difluoromethyl)-5-methylpyridine-2,3-diol
CID 118806228
4-(Difluoromethyl)-3-methoxy-5-methylpyridin-2-ol
CID 118806804
4-Bromo-5-(difluoromethyl)-3-methoxypyridin-2-ol
CID 118811677
4-(Difluoromethyl)-5-(hydroxymethyl)-3-(trifluoromethoxy)pyridin-2-ol
CID 118812576
4-(Difluoromethyl)-5-methoxypyridine-2,3-diol
CID 118817515
4-(Difluoromethyl)-5-(hydroxymethyl)-3-methoxypyridin-2-ol
CID 118818107
4-(Difluoromethyl)-5-methyl-3-(trifluoromethoxy)pyridin-2-ol
CID 118818112
4-(Difluoromethyl)-5-fluoro-3-methoxypyridin-2-ol
CID 118823997

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-4-hydroxy-3-methoxy-1H-pyridin-2-one?
The IUPAC name of 5-(difluoromethyl)-4-hydroxy-3-methoxy-1H-pyridin-2-one (CID 130100079) is 5-(difluoromethyl)-4-hydroxy-3-methoxy-1H-pyridin-2-one.
What is the SMILES notation for 5-(difluoromethyl)-4-hydroxy-3-methoxy-1H-pyridin-2-one?
The canonical SMILES for 5-(difluoromethyl)-4-hydroxy-3-methoxy-1H-pyridin-2-one is COc1c(O)c(C(F)F)c[nH]c1=O.
What is the InChIKey of 5-(difluoromethyl)-4-hydroxy-3-methoxy-1H-pyridin-2-one?
The InChIKey is GBNKHCYBSJHBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NO3/c1-13-5-4(11)3(6(8)9)2-10-7(5)12/h2,6H,1H3,(H2,10,11,12).
What are the key properties of 5-(difluoromethyl)-4-hydroxy-3-methoxy-1H-pyridin-2-one?
5-(difluoromethyl)-4-hydroxy-3-methoxy-1H-pyridin-2-one has a molecular weight of 191.13 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-4-hydroxy-3-methoxy-1H-pyridin-2-one is sourced from PubChem (CID 130100079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).