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

C8H9F2NO3 — CID 25018653

IUPAC6-(difluoromethyl)-3-hydroxy-2-(hydroxymethyl)-1-methylpyridin-4-one
SMILESCn1c(C(F)F)cc(=O)c(O)c1CO
InChIInChI=1S/C8H9F2NO3/c1-11-4(8(9)10)2-6(13)7(14)5(11)3-12/h2,8,12,14H,3H2,1H3
InChIKeyIIAIHDCZCRKECE-UHFFFAOYSA-N
MW205.16 g/mol
LogP0.52
Rot. Bonds2

About 6-(difluoromethyl)-3-hydroxy-2-(hydroxymethyl)-1-methylpyridin-4-one

6-(difluoromethyl)-3-hydroxy-2-(hydroxymethyl)-1-methylpyridin-4-one (PubChem CID 25018653) has the molecular formula C8H9F2NO3 and a molecular weight of 205.16 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-hydroxy-2-(hydroxymethyl)-1-methylpyridin-4-one.

Molecular Properties

Compound Name6-(difluoromethyl)-3-hydroxy-2-(hydroxymethyl)-1-methylpyridin-4-one
PubChem CID25018653
Molecular FormulaC8H9F2NO3
Molecular Weight205.16 g/mol
Exact Mass205.06
IUPAC Name6-(difluoromethyl)-3-hydroxy-2-(hydroxymethyl)-1-methylpyridin-4-one
SMILESCn1c(C(F)F)cc(=O)c(O)c1CO
InChIInChI=1S/C8H9F2NO3/c1-11-4(8(9)10)2-6(13)7(14)5(11)3-12/h2,8,12,14H,3H2,1H3
InChIKeyIIAIHDCZCRKECE-UHFFFAOYSA-N
XLogP0.52
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.16
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-hydroxy-2-(hydroxymethyl)-1-methylpyridin-4-one?
The IUPAC name of 6-(difluoromethyl)-3-hydroxy-2-(hydroxymethyl)-1-methylpyridin-4-one (CID 25018653) is 6-(difluoromethyl)-3-hydroxy-2-(hydroxymethyl)-1-methylpyridin-4-one.
What is the SMILES notation for 6-(difluoromethyl)-3-hydroxy-2-(hydroxymethyl)-1-methylpyridin-4-one?
The canonical SMILES for 6-(difluoromethyl)-3-hydroxy-2-(hydroxymethyl)-1-methylpyridin-4-one is Cn1c(C(F)F)cc(=O)c(O)c1CO.
What is the InChIKey of 6-(difluoromethyl)-3-hydroxy-2-(hydroxymethyl)-1-methylpyridin-4-one?
The InChIKey is IIAIHDCZCRKECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO3/c1-11-4(8(9)10)2-6(13)7(14)5(11)3-12/h2,8,12,14H,3H2,1H3.
What are the key properties of 6-(difluoromethyl)-3-hydroxy-2-(hydroxymethyl)-1-methylpyridin-4-one?
6-(difluoromethyl)-3-hydroxy-2-(hydroxymethyl)-1-methylpyridin-4-one has a molecular weight of 205.16 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3-hydroxy-2-(hydroxymethyl)-1-methylpyridin-4-one is sourced from PubChem (CID 25018653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).