1-(2,2-difluoroethyl)-3-hydroxy-6-methyl-2-(methylaminomethyl)pyridin-4-one

C10H14F2N2O2 — CID 70805138

IUPAC1-(2,2-difluoroethyl)-3-hydroxy-6-methyl-2-(methylaminomethyl)pyridin-4-one
SMILESCNCc1c(O)c(=O)cc(C)n1CC(F)F
InChIInChI=1S/C10H14F2N2O2/c1-6-3-8(15)10(16)7(4-13-2)14(6)5-9(11)12/h3,9,13,16H,4-5H2,1-2H3
InChIKeyCQLYLVAJZLRBPU-UHFFFAOYSA-N
MW232.23 g/mol
LogP0.85
Rot. Bonds4

About 1-(2,2-difluoroethyl)-3-hydroxy-6-methyl-2-(methylaminomethyl)pyridin-4-one

1-(2,2-difluoroethyl)-3-hydroxy-6-methyl-2-(methylaminomethyl)pyridin-4-one (PubChem CID 70805138) has the molecular formula C10H14F2N2O2 and a molecular weight of 232.23 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3-hydroxy-6-methyl-2-(methylaminomethyl)pyridin-4-one.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3-hydroxy-6-methyl-2-(methylaminomethyl)pyridin-4-one
PubChem CID70805138
Molecular FormulaC10H14F2N2O2
Molecular Weight232.23 g/mol
Exact Mass232.10
IUPAC Name1-(2,2-difluoroethyl)-3-hydroxy-6-methyl-2-(methylaminomethyl)pyridin-4-one
SMILESCNCc1c(O)c(=O)cc(C)n1CC(F)F
InChIInChI=1S/C10H14F2N2O2/c1-6-3-8(15)10(16)7(4-13-2)14(6)5-9(11)12/h3,9,13,16H,4-5H2,1-2H3
InChIKeyCQLYLVAJZLRBPU-UHFFFAOYSA-N
XLogP0.85
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-3-hydroxy-6-methyl-2-(methylaminomethyl)pyridin-4-one?
The IUPAC name of 1-(2,2-difluoroethyl)-3-hydroxy-6-methyl-2-(methylaminomethyl)pyridin-4-one (CID 70805138) is 1-(2,2-difluoroethyl)-3-hydroxy-6-methyl-2-(methylaminomethyl)pyridin-4-one.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3-hydroxy-6-methyl-2-(methylaminomethyl)pyridin-4-one?
The canonical SMILES for 1-(2,2-difluoroethyl)-3-hydroxy-6-methyl-2-(methylaminomethyl)pyridin-4-one is CNCc1c(O)c(=O)cc(C)n1CC(F)F.
What is the InChIKey of 1-(2,2-difluoroethyl)-3-hydroxy-6-methyl-2-(methylaminomethyl)pyridin-4-one?
The InChIKey is CQLYLVAJZLRBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O2/c1-6-3-8(15)10(16)7(4-13-2)14(6)5-9(11)12/h3,9,13,16H,4-5H2,1-2H3.
What are the key properties of 1-(2,2-difluoroethyl)-3-hydroxy-6-methyl-2-(methylaminomethyl)pyridin-4-one?
1-(2,2-difluoroethyl)-3-hydroxy-6-methyl-2-(methylaminomethyl)pyridin-4-one has a molecular weight of 232.23 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-3-hydroxy-6-methyl-2-(methylaminomethyl)pyridin-4-one is sourced from PubChem (CID 70805138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).