1-(2,2-difluoroethyl)-2-[(dimethylamino)methyl]-3-hydroxy-6-methylpyridin-4-one

C11H16F2N2O2 — CID 70805278

IUPAC1-(2,2-difluoroethyl)-2-[(dimethylamino)methyl]-3-hydroxy-6-methylpyridin-4-one
SMILESCc1cc(=O)c(O)c(CN(C)C)n1CC(F)F
InChIInChI=1S/C11H16F2N2O2/c1-7-4-9(16)11(17)8(5-14(2)3)15(7)6-10(12)13/h4,10,17H,5-6H2,1-3H3
InChIKeyNFJJGDFOTXHHQA-UHFFFAOYSA-N
MW246.26 g/mol
LogP1.19
Rot. Bonds4

About 1-(2,2-difluoroethyl)-2-[(dimethylamino)methyl]-3-hydroxy-6-methylpyridin-4-one

1-(2,2-difluoroethyl)-2-[(dimethylamino)methyl]-3-hydroxy-6-methylpyridin-4-one (PubChem CID 70805278) has the molecular formula C11H16F2N2O2 and a molecular weight of 246.26 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-2-[(dimethylamino)methyl]-3-hydroxy-6-methylpyridin-4-one.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-2-[(dimethylamino)methyl]-3-hydroxy-6-methylpyridin-4-one
PubChem CID70805278
Molecular FormulaC11H16F2N2O2
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name1-(2,2-difluoroethyl)-2-[(dimethylamino)methyl]-3-hydroxy-6-methylpyridin-4-one
SMILESCc1cc(=O)c(O)c(CN(C)C)n1CC(F)F
InChIInChI=1S/C11H16F2N2O2/c1-7-4-9(16)11(17)8(5-14(2)3)15(7)6-10(12)13/h4,10,17H,5-6H2,1-3H3
InChIKeyNFJJGDFOTXHHQA-UHFFFAOYSA-N
XLogP1.19
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-2-[(dimethylamino)methyl]-3-hydroxy-6-methylpyridin-4-one?
The IUPAC name of 1-(2,2-difluoroethyl)-2-[(dimethylamino)methyl]-3-hydroxy-6-methylpyridin-4-one (CID 70805278) is 1-(2,2-difluoroethyl)-2-[(dimethylamino)methyl]-3-hydroxy-6-methylpyridin-4-one.
What is the SMILES notation for 1-(2,2-difluoroethyl)-2-[(dimethylamino)methyl]-3-hydroxy-6-methylpyridin-4-one?
The canonical SMILES for 1-(2,2-difluoroethyl)-2-[(dimethylamino)methyl]-3-hydroxy-6-methylpyridin-4-one is Cc1cc(=O)c(O)c(CN(C)C)n1CC(F)F.
What is the InChIKey of 1-(2,2-difluoroethyl)-2-[(dimethylamino)methyl]-3-hydroxy-6-methylpyridin-4-one?
The InChIKey is NFJJGDFOTXHHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O2/c1-7-4-9(16)11(17)8(5-14(2)3)15(7)6-10(12)13/h4,10,17H,5-6H2,1-3H3.
What are the key properties of 1-(2,2-difluoroethyl)-2-[(dimethylamino)methyl]-3-hydroxy-6-methylpyridin-4-one?
1-(2,2-difluoroethyl)-2-[(dimethylamino)methyl]-3-hydroxy-6-methylpyridin-4-one has a molecular weight of 246.26 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-2-[(dimethylamino)methyl]-3-hydroxy-6-methylpyridin-4-one is sourced from PubChem (CID 70805278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).