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

C7H7F2NO3 — CID 118814932

IUPAC2-(difluoromethyl)-3-hydroxy-5-methoxy-1H-pyridin-4-one
SMILESCOc1c[nH]c(C(F)F)c(O)c1=O
InChIInChI=1S/C7H7F2NO3/c1-13-3-2-10-4(7(8)9)6(12)5(3)11/h2,7,12H,1H3,(H,10,11)
InChIKeyVNJAROIAVZGDJN-UHFFFAOYSA-N
MW191.13 g/mol
LogP1.03
Rot. Bonds2

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

2-(difluoromethyl)-3-hydroxy-5-methoxy-1H-pyridin-4-one (PubChem CID 118814932) has the molecular formula C7H7F2NO3 and a molecular weight of 191.13 g/mol. Its IUPAC name is 2-(difluoromethyl)-3-hydroxy-5-methoxy-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(difluoromethyl)-3-hydroxy-5-methoxy-1H-pyridin-4-one
PubChem CID118814932
Molecular FormulaC7H7F2NO3
Molecular Weight191.13 g/mol
Exact Mass191.04
IUPAC Name2-(difluoromethyl)-3-hydroxy-5-methoxy-1H-pyridin-4-one
SMILESCOc1c[nH]c(C(F)F)c(O)c1=O
InChIInChI=1S/C7H7F2NO3/c1-13-3-2-10-4(7(8)9)6(12)5(3)11/h2,7,12H,1H3,(H,10,11)
InChIKeyVNJAROIAVZGDJN-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

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Related Compounds

5-fluoro-3-hydroxy-2-methyl-1H-pyridin-4-one
CID 44192607
3-Fluoro-5-hydroxy-2-methyl-4(1H)-pyridinone
CID 55286604
2-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one
CID 67282122
4-Hydroxy-3-methoxy-2-(trifluoromethyl)pyridine
CID 69022654
5-fluoro-3-methoxy-2-methyl-1H-pyridin-4-one
CID 143248071
Trioxypicolin
CID 129645318
4,5-Dihydroxy-3-methoxy-2-methylpyridin
CID 129891410
4-Hydroxy-5-methoxy-2-(trifluoromethyl)pyridine
CID 102030325
2-(Difluoromethyl)-4,5-dihydroxy-3-methoxypyridine
CID 118803657
2-(Difluoromethyl)-3,4,5-trihydroxypyridine
CID 118814776
5-methoxy-4-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carbaldehyde
CID 118821901
2-(Difluoromethyl)-3,4-dihydroxy-5-iodopyridine
CID 118826058

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-3-hydroxy-5-methoxy-1H-pyridin-4-one?
The IUPAC name of 2-(difluoromethyl)-3-hydroxy-5-methoxy-1H-pyridin-4-one (CID 118814932) is 2-(difluoromethyl)-3-hydroxy-5-methoxy-1H-pyridin-4-one.
What is the SMILES notation for 2-(difluoromethyl)-3-hydroxy-5-methoxy-1H-pyridin-4-one?
The canonical SMILES for 2-(difluoromethyl)-3-hydroxy-5-methoxy-1H-pyridin-4-one is COc1c[nH]c(C(F)F)c(O)c1=O.
What is the InChIKey of 2-(difluoromethyl)-3-hydroxy-5-methoxy-1H-pyridin-4-one?
The InChIKey is VNJAROIAVZGDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NO3/c1-13-3-2-10-4(7(8)9)6(12)5(3)11/h2,7,12H,1H3,(H,10,11).
What are the key properties of 2-(difluoromethyl)-3-hydroxy-5-methoxy-1H-pyridin-4-one?
2-(difluoromethyl)-3-hydroxy-5-methoxy-1H-pyridin-4-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 2-(difluoromethyl)-3-hydroxy-5-methoxy-1H-pyridin-4-one is sourced from PubChem (CID 118814932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).