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

C8H9F2NO3 — CID 118809310

IUPAC2-(difluoromethyl)-3-(hydroxymethyl)-5-methoxy-1H-pyridin-4-one
SMILESCOc1c[nH]c(C(F)F)c(CO)c1=O
InChIInChI=1S/C8H9F2NO3/c1-14-5-2-11-6(8(9)10)4(3-12)7(5)13/h2,8,12H,3H2,1H3,(H,11,13)
InChIKeyJDDBOAXDGWRTNH-UHFFFAOYSA-N
MW205.16 g/mol
LogP0.81
Rot. Bonds3

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

2-(difluoromethyl)-3-(hydroxymethyl)-5-methoxy-1H-pyridin-4-one (PubChem CID 118809310) has the molecular formula C8H9F2NO3 and a molecular weight of 205.16 g/mol. Its IUPAC name is 2-(difluoromethyl)-3-(hydroxymethyl)-5-methoxy-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(difluoromethyl)-3-(hydroxymethyl)-5-methoxy-1H-pyridin-4-one
PubChem CID118809310
Molecular FormulaC8H9F2NO3
Molecular Weight205.16 g/mol
Exact Mass205.06
IUPAC Name2-(difluoromethyl)-3-(hydroxymethyl)-5-methoxy-1H-pyridin-4-one
SMILESCOc1c[nH]c(C(F)F)c(CO)c1=O
InChIInChI=1S/C8H9F2NO3/c1-14-5-2-11-6(8(9)10)4(3-12)7(5)13/h2,8,12H,3H2,1H3,(H,11,13)
InChIKeyJDDBOAXDGWRTNH-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

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Related Compounds

3,4-Dihydroxy-2-methylpyridine-5-methanol
CID 593354
3-Hydroxy-2-methyl-5-(2,2,2-trifluoro-1-hydroxy-ethyl)-1H-pyridin-4-one
CID 25018649
3-hydroxy-2-methyl-5-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-1H-pyridin-4-one
CID 67281563
2-ethyl-3-hydroxy-5-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4(1H)-one
CID 118389744
2-(Difluoromethyl)-4-hydroxy-3-(trifluoromethoxy)pyridine-5-methanol
CID 118803691
2-(Difluoromethyl)-4-hydroxy-5-methoxy-3-methylpyridine
CID 118803692
2-(Difluoromethyl)-4-hydroxy-3-methylpyridine-5-methanol
CID 118809188
2-methyl-4-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid
CID 118810550
2-(Difluoromethyl)-4-hydroxy-3-methoxypyridine-5-carboxylic acid
CID 118814846
2-(bromomethyl)-5-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 118815720
3-(hydroxymethyl)-5-methoxy-2-(trifluoromethoxy)-1H-pyridin-4-one
CID 118816283
2-(aminomethyl)-5-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 118825520

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-3-(hydroxymethyl)-5-methoxy-1H-pyridin-4-one?
The IUPAC name of 2-(difluoromethyl)-3-(hydroxymethyl)-5-methoxy-1H-pyridin-4-one (CID 118809310) is 2-(difluoromethyl)-3-(hydroxymethyl)-5-methoxy-1H-pyridin-4-one.
What is the SMILES notation for 2-(difluoromethyl)-3-(hydroxymethyl)-5-methoxy-1H-pyridin-4-one?
The canonical SMILES for 2-(difluoromethyl)-3-(hydroxymethyl)-5-methoxy-1H-pyridin-4-one is COc1c[nH]c(C(F)F)c(CO)c1=O.
What is the InChIKey of 2-(difluoromethyl)-3-(hydroxymethyl)-5-methoxy-1H-pyridin-4-one?
The InChIKey is JDDBOAXDGWRTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO3/c1-14-5-2-11-6(8(9)10)4(3-12)7(5)13/h2,8,12H,3H2,1H3,(H,11,13).
What are the key properties of 2-(difluoromethyl)-3-(hydroxymethyl)-5-methoxy-1H-pyridin-4-one?
2-(difluoromethyl)-3-(hydroxymethyl)-5-methoxy-1H-pyridin-4-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 2-(difluoromethyl)-3-(hydroxymethyl)-5-methoxy-1H-pyridin-4-one is sourced from PubChem (CID 118809310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).