3-hydroxy-1-(2-hydroxyethyl)-2-[hydroxy(pyridin-3-yl)methyl]pyridin-4-one

C13H14N2O4 — CID 21474389

IUPAC3-hydroxy-1-(2-hydroxyethyl)-2-[hydroxy(pyridin-3-yl)methyl]pyridin-4-one
SMILESO=c1ccn(CCO)c(C(O)c2cccnc2)c1O
InChIInChI=1S/C13H14N2O4/c16-7-6-15-5-3-10(17)13(19)11(15)12(18)9-2-1-4-14-8-9/h1-5,8,12,16,18-19H,6-7H2
InChIKeyYMZONEZMMWZCLS-UHFFFAOYSA-N
MW262.26 g/mol
LogP0.02
Rot. Bonds4

About 3-hydroxy-1-(2-hydroxyethyl)-2-[hydroxy(pyridin-3-yl)methyl]pyridin-4-one

3-hydroxy-1-(2-hydroxyethyl)-2-[hydroxy(pyridin-3-yl)methyl]pyridin-4-one (PubChem CID 21474389) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 3-hydroxy-1-(2-hydroxyethyl)-2-[hydroxy(pyridin-3-yl)methyl]pyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-1-(2-hydroxyethyl)-2-[hydroxy(pyridin-3-yl)methyl]pyridin-4-one
PubChem CID21474389
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name3-hydroxy-1-(2-hydroxyethyl)-2-[hydroxy(pyridin-3-yl)methyl]pyridin-4-one
SMILESO=c1ccn(CCO)c(C(O)c2cccnc2)c1O
InChIInChI=1S/C13H14N2O4/c16-7-6-15-5-3-10(17)13(19)11(15)12(18)9-2-1-4-14-8-9/h1-5,8,12,16,18-19H,6-7H2
InChIKeyYMZONEZMMWZCLS-UHFFFAOYSA-N
XLogP0.02
TPSA95.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-chlorophenyl)-hydroxymethyl]-3-hydroxy-1-(2-hydroxyethyl)pyridin-4-one
CID 21474314
3-hydroxy-1-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-2-methylpyridin-4-one
CID 170560087
3-hydroxy-2-(1-hydroxy-2-pyridin-3-ylethyl)-1-methylpyridin-4-one
CID 54024635
pyridin-3-yl(pyrimidin-2-yl)methanol
CID 54244340
(1-propylimidazol-2-yl)-pyridin-3-ylmethanol
CID 61315543
2-ethyl-3-hydroxy-1-(pyridin-3-ylmethyl)pyridin-4-one
CID 45095780
(2-methyltetrazol-5-yl)-pyridin-3-ylmethanol
CID 131137701
2-amino-2-pyridin-3-ylethanol
CID 2734590
2-[hydroxy(pyridin-3-yl)methyl]-1-methylquinolin-4-one
CID 15733015
(3,5-dichlorophenyl)-pyridin-3-ylmethanol
CID 63900537
2,2-dipyridin-3-ylethanol
CID 57450821
(4R)-4-amino-4-pyridin-3-ylbutan-1-ol
CID 15886729

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-(2-hydroxyethyl)-2-[hydroxy(pyridin-3-yl)methyl]pyridin-4-one?
The IUPAC name of 3-hydroxy-1-(2-hydroxyethyl)-2-[hydroxy(pyridin-3-yl)methyl]pyridin-4-one (CID 21474389) is 3-hydroxy-1-(2-hydroxyethyl)-2-[hydroxy(pyridin-3-yl)methyl]pyridin-4-one.
What is the SMILES notation for 3-hydroxy-1-(2-hydroxyethyl)-2-[hydroxy(pyridin-3-yl)methyl]pyridin-4-one?
The canonical SMILES for 3-hydroxy-1-(2-hydroxyethyl)-2-[hydroxy(pyridin-3-yl)methyl]pyridin-4-one is O=c1ccn(CCO)c(C(O)c2cccnc2)c1O.
What is the InChIKey of 3-hydroxy-1-(2-hydroxyethyl)-2-[hydroxy(pyridin-3-yl)methyl]pyridin-4-one?
The InChIKey is YMZONEZMMWZCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c16-7-6-15-5-3-10(17)13(19)11(15)12(18)9-2-1-4-14-8-9/h1-5,8,12,16,18-19H,6-7H2.
What are the key properties of 3-hydroxy-1-(2-hydroxyethyl)-2-[hydroxy(pyridin-3-yl)methyl]pyridin-4-one?
3-hydroxy-1-(2-hydroxyethyl)-2-[hydroxy(pyridin-3-yl)methyl]pyridin-4-one has a molecular weight of 262.26 g/mol, XLogP of 0.02, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-(2-hydroxyethyl)-2-[hydroxy(pyridin-3-yl)methyl]pyridin-4-one is sourced from PubChem (CID 21474389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).