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

C13H14N2O3 — CID 170560087

IUPAC3-hydroxy-1-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-2-methylpyridin-4-one
SMILESCc1c(O)c(=O)ccn1C[C@@H](O)c1cccnc1
InChIInChI=1S/C13H14N2O3/c1-9-13(18)11(16)4-6-15(9)8-12(17)10-3-2-5-14-7-10/h2-7,12,17-18H,8H2,1H3/t12-/m1/s1
InChIKeyZKKLQWOHYNWEAO-GFCCVEGCSA-N
MW246.27 g/mol
LogP0.99
Rot. Bonds3

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

3-hydroxy-1-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-2-methylpyridin-4-one (PubChem CID 170560087) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 3-hydroxy-1-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-2-methylpyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-1-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-2-methylpyridin-4-one
PubChem CID170560087
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name3-hydroxy-1-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-2-methylpyridin-4-one
SMILESCc1c(O)c(=O)ccn1C[C@@H](O)c1cccnc1
InChIInChI=1S/C13H14N2O3/c1-9-13(18)11(16)4-6-15(9)8-12(17)10-3-2-5-14-7-10/h2-7,12,17-18H,8H2,1H3/t12-/m1/s1
InChIKeyZKKLQWOHYNWEAO-GFCCVEGCSA-N
XLogP0.99
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 ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-hydroxy-1-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-2-methylpyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2S)-2-(3,4-dichlorophenyl)-2-hydroxyethyl]-3-hydroxy-2-methylpyridin-4-one
CID 170560138
3-hydroxy-1-(2-hydroxyethyl)-2-[hydroxy(pyridin-3-yl)methyl]pyridin-4-one
CID 21474389
1-pyridin-3-yl-2-(2-pyridin-4-ylimidazol-1-yl)ethanol
CID 70721156
2-ethyl-3-hydroxy-1-(pyridin-3-ylmethyl)pyridin-4-one
CID 45095780
1-[(2S)-2-hydroxy-2-phenylethyl]-2-methyl-3-phenylmethoxypyridin-4-one
CID 170560126
3-hydroxy-2-(1-hydroxy-2-pyridin-3-ylethyl)-1-methylpyridin-4-one
CID 54024635
3-hydroxy-1-[8-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)octyl]-2-methylpyridin-4-one
CID 19821577
(1S)-2-(methylamino)-1-pyridin-3-ylethanol
CID 10171254
(2-hydroxy-2-pyridin-3-ylethyl)carbamic acid
CID 21105805
2-(1-pentan-3-ylpyrazol-3-yl)-1-pyridin-3-ylethanol
CID 64784265
3-hydroxy-1-(2-hydroxyethoxymethyl)-2-methylpyridin-4-one
CID 10821844
(1R)-2-[2-[5-(2-chlorophenyl)furan-2-yl]imidazol-1-yl]-1-pyridin-3-ylethanol
CID 95216864

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-2-methylpyridin-4-one?
The IUPAC name of 3-hydroxy-1-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-2-methylpyridin-4-one (CID 170560087) is 3-hydroxy-1-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-2-methylpyridin-4-one.
What is the SMILES notation for 3-hydroxy-1-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-2-methylpyridin-4-one?
The canonical SMILES for 3-hydroxy-1-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-2-methylpyridin-4-one is Cc1c(O)c(=O)ccn1C[C@@H](O)c1cccnc1.
What is the InChIKey of 3-hydroxy-1-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-2-methylpyridin-4-one?
The InChIKey is ZKKLQWOHYNWEAO-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-9-13(18)11(16)4-6-15(9)8-12(17)10-3-2-5-14-7-10/h2-7,12,17-18H,8H2,1H3/t12-/m1/s1.
What are the key properties of 3-hydroxy-1-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-2-methylpyridin-4-one?
3-hydroxy-1-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-2-methylpyridin-4-one has a molecular weight of 246.27 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-2-methylpyridin-4-one is sourced from PubChem (CID 170560087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).