3-hydroxy-2-(1-hydroxy-2-pyridin-3-ylethyl)-1-methylpyridin-4-one

C13H14N2O3 — CID 54024635

IUPAC3-hydroxy-2-(1-hydroxy-2-pyridin-3-ylethyl)-1-methylpyridin-4-one
SMILESCn1ccc(=O)c(O)c1C(O)Cc1cccnc1
InChIInChI=1S/C13H14N2O3/c1-15-6-4-10(16)13(18)12(15)11(17)7-9-3-2-5-14-8-9/h2-6,8,11,17-18H,7H2,1H3
InChIKeyLBHUKZDMWXYIHQ-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.76
Rot. Bonds3

About 3-hydroxy-2-(1-hydroxy-2-pyridin-3-ylethyl)-1-methylpyridin-4-one

3-hydroxy-2-(1-hydroxy-2-pyridin-3-ylethyl)-1-methylpyridin-4-one (PubChem CID 54024635) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 3-hydroxy-2-(1-hydroxy-2-pyridin-3-ylethyl)-1-methylpyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-2-(1-hydroxy-2-pyridin-3-ylethyl)-1-methylpyridin-4-one
PubChem CID54024635
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name3-hydroxy-2-(1-hydroxy-2-pyridin-3-ylethyl)-1-methylpyridin-4-one
SMILESCn1ccc(=O)c(O)c1C(O)Cc1cccnc1
InChIInChI=1S/C13H14N2O3/c1-15-6-4-10(16)13(18)12(15)11(17)7-9-3-2-5-14-8-9/h2-6,8,11,17-18H,7H2,1H3
InChIKeyLBHUKZDMWXYIHQ-UHFFFAOYSA-N
XLogP0.76
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-3-hydroxy-1-(pyridin-3-ylmethyl)pyridin-4-one
CID 45095780
3-hydroxy-1-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-2-methylpyridin-4-one
CID 170560087
1-pyridin-3-ylpentan-2-ol
CID 62553061
1-pyridin-3-ylpropane-2-sulfonic acid
CID 162352665
1-(1-methylpyrazol-3-yl)-3-pyridin-3-ylpropan-2-ol
CID 82869029
1-(2-methylphenyl)-2-pyridin-3-ylethanol
CID 62551193
1-(2,3-difluoro-4-methylphenyl)-2-pyridin-3-ylethanol
CID 107512866
iron(3+);tris(3-(pyridin-3-ylmethyl)pentane-2,4-dione)
CID 159970189
1-methylsulfonyl-3-pyridin-3-ylpropan-2-ol
CID 115832186
1-[4-(2-methylpropyl)phenyl]-2-pyridin-3-ylethanol
CID 104735785
1-(6-methyl-3-pyridinyl)-2-pyridin-3-ylethanol
CID 63155414
3-(methylamino)-4-pyridin-3-ylbutan-2-one
CID 22974289

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(1-hydroxy-2-pyridin-3-ylethyl)-1-methylpyridin-4-one?
The IUPAC name of 3-hydroxy-2-(1-hydroxy-2-pyridin-3-ylethyl)-1-methylpyridin-4-one (CID 54024635) is 3-hydroxy-2-(1-hydroxy-2-pyridin-3-ylethyl)-1-methylpyridin-4-one.
What is the SMILES notation for 3-hydroxy-2-(1-hydroxy-2-pyridin-3-ylethyl)-1-methylpyridin-4-one?
The canonical SMILES for 3-hydroxy-2-(1-hydroxy-2-pyridin-3-ylethyl)-1-methylpyridin-4-one is Cn1ccc(=O)c(O)c1C(O)Cc1cccnc1.
What is the InChIKey of 3-hydroxy-2-(1-hydroxy-2-pyridin-3-ylethyl)-1-methylpyridin-4-one?
The InChIKey is LBHUKZDMWXYIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-15-6-4-10(16)13(18)12(15)11(17)7-9-3-2-5-14-8-9/h2-6,8,11,17-18H,7H2,1H3.
What are the key properties of 3-hydroxy-2-(1-hydroxy-2-pyridin-3-ylethyl)-1-methylpyridin-4-one?
3-hydroxy-2-(1-hydroxy-2-pyridin-3-ylethyl)-1-methylpyridin-4-one has a molecular weight of 246.27 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(1-hydroxy-2-pyridin-3-ylethyl)-1-methylpyridin-4-one is sourced from PubChem (CID 54024635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).