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

C8H9F2NO3 — CID 118826217

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

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

2-(difluoromethyl)-5-(hydroxymethyl)-3-methoxy-1H-pyridin-4-one (PubChem CID 118826217) has the molecular formula C8H9F2NO3 and a molecular weight of 205.16 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-(hydroxymethyl)-3-methoxy-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(difluoromethyl)-5-(hydroxymethyl)-3-methoxy-1H-pyridin-4-one
PubChem CID118826217
Molecular FormulaC8H9F2NO3
Molecular Weight205.16 g/mol
Exact Mass205.06
IUPAC Name2-(difluoromethyl)-5-(hydroxymethyl)-3-methoxy-1H-pyridin-4-one
SMILESCOc1c(C(F)F)[nH]cc(CO)c1=O
InChIInChI=1S/C8H9F2NO3/c1-14-7-5(8(9)10)11-2-4(3-12)6(7)13/h2,8,12H,3H2,1H3,(H,11,13)
InChIKeyPXJZRDXAAYUUIJ-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
CID 11356058
CID 11356058
3-Hydroxy-2-methyl-5-(2,2,2-trifluoro-1-hydroxy-ethyl)-1H-pyridin-4-one
CID 25018649
3-hydroxy-2-methyl-5-(2,2,2-trifluoro-1-methoxy-ethyl)-1H-pyridin-4-one
CID 67281494
3-hydroxy-2-methyl-5-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-1H-pyridin-4-one
CID 67281563
3-methoxy-5-methyl-2-(trifluoromethyl)-1H-pyridin-4-one
CID 90985226
2-ethyl-3-hydroxy-5-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4(1H)-one
CID 118389744
(Z,3Z)-1,1,1-trifluoro-2,5-dihydroxy-3-(methylaminomethylidene)oct-5-en-4-one
CID 144115288
2-(Difluoromethyl)-4-hydroxy-3-(trifluoromethoxy)pyridine-5-methanol
CID 118803691
2-(Difluoromethyl)-4-hydroxy-3-methylpyridine-5-methanol
CID 118809188
2-(Difluoromethyl)-4-hydroxy-5-methoxypyridine-3-methanol
CID 118809310
2-(Difluoromethyl)-4-hydroxy-3-methoxypyridine-5-carboxylic acid
CID 118814846

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-(hydroxymethyl)-3-methoxy-1H-pyridin-4-one?
The IUPAC name of 2-(difluoromethyl)-5-(hydroxymethyl)-3-methoxy-1H-pyridin-4-one (CID 118826217) is 2-(difluoromethyl)-5-(hydroxymethyl)-3-methoxy-1H-pyridin-4-one.
What is the SMILES notation for 2-(difluoromethyl)-5-(hydroxymethyl)-3-methoxy-1H-pyridin-4-one?
The canonical SMILES for 2-(difluoromethyl)-5-(hydroxymethyl)-3-methoxy-1H-pyridin-4-one is COc1c(C(F)F)[nH]cc(CO)c1=O.
What is the InChIKey of 2-(difluoromethyl)-5-(hydroxymethyl)-3-methoxy-1H-pyridin-4-one?
The InChIKey is PXJZRDXAAYUUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO3/c1-14-7-5(8(9)10)11-2-4(3-12)6(7)13/h2,8,12H,3H2,1H3,(H,11,13).
What are the key properties of 2-(difluoromethyl)-5-(hydroxymethyl)-3-methoxy-1H-pyridin-4-one?
2-(difluoromethyl)-5-(hydroxymethyl)-3-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)-5-(hydroxymethyl)-3-methoxy-1H-pyridin-4-one is sourced from PubChem (CID 118826217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).