5-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-1-methylpyridin-4-one

C10H16N2O3 — CID 82218761

IUPAC5-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-1-methylpyridin-4-one
SMILESCN(CCO)Cc1cc(=O)c(O)cn1C
InChIInChI=1S/C10H16N2O3/c1-11(3-4-13)6-8-5-9(14)10(15)7-12(8)2/h5,7,13,15H,3-4,6H2,1-2H3
InChIKeySNQNBTKCHKPASB-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.49
Rot. Bonds4

About 5-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-1-methylpyridin-4-one

5-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-1-methylpyridin-4-one (PubChem CID 82218761) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 5-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-1-methylpyridin-4-one.

Molecular Properties

Compound Name5-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-1-methylpyridin-4-one
PubChem CID82218761
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name5-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-1-methylpyridin-4-one
SMILESCN(CCO)Cc1cc(=O)c(O)cn1C
InChIInChI=1S/C10H16N2O3/c1-11(3-4-13)6-8-5-9(14)10(15)7-12(8)2/h5,7,13,15H,3-4,6H2,1-2H3
InChIKeySNQNBTKCHKPASB-UHFFFAOYSA-N
XLogP-0.49
TPSA65.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-1-methylpyridin-4-one?
The IUPAC name of 5-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-1-methylpyridin-4-one (CID 82218761) is 5-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-1-methylpyridin-4-one.
What is the SMILES notation for 5-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-1-methylpyridin-4-one?
The canonical SMILES for 5-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-1-methylpyridin-4-one is CN(CCO)Cc1cc(=O)c(O)cn1C.
What is the InChIKey of 5-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-1-methylpyridin-4-one?
The InChIKey is SNQNBTKCHKPASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-11(3-4-13)6-8-5-9(14)10(15)7-12(8)2/h5,7,13,15H,3-4,6H2,1-2H3.
What are the key properties of 5-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-1-methylpyridin-4-one?
5-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-1-methylpyridin-4-one has a molecular weight of 212.25 g/mol, XLogP of -0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-1-methylpyridin-4-one is sourced from PubChem (CID 82218761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).