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

C14H15NO5 — CID 21474443

IUPAC3-hydroxy-1-(2-hydroxyethyl)-2-[hydroxy-(2-hydroxyphenyl)methyl]pyridin-4-one
SMILESO=c1ccn(CCO)c(C(O)c2ccccc2O)c1O
InChIInChI=1S/C14H15NO5/c16-8-7-15-6-5-11(18)14(20)12(15)13(19)9-3-1-2-4-10(9)17/h1-6,13,16-17,19-20H,7-8H2
InChIKeySHXJOTHVQQVCMC-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.33
Rot. Bonds4

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

3-hydroxy-1-(2-hydroxyethyl)-2-[hydroxy-(2-hydroxyphenyl)methyl]pyridin-4-one (PubChem CID 21474443) has the molecular formula C14H15NO5 and a molecular weight of 277.28 g/mol. Its IUPAC name is 3-hydroxy-1-(2-hydroxyethyl)-2-[hydroxy-(2-hydroxyphenyl)methyl]pyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-1-(2-hydroxyethyl)-2-[hydroxy-(2-hydroxyphenyl)methyl]pyridin-4-one
PubChem CID21474443
Molecular FormulaC14H15NO5
Molecular Weight277.28 g/mol
Exact Mass277.10
IUPAC Name3-hydroxy-1-(2-hydroxyethyl)-2-[hydroxy-(2-hydroxyphenyl)methyl]pyridin-4-one
SMILESO=c1ccn(CCO)c(C(O)c2ccccc2O)c1O
InChIInChI=1S/C14H15NO5/c16-8-7-15-6-5-11(18)14(20)12(15)13(19)9-3-1-2-4-10(9)17/h1-6,13,16-17,19-20H,7-8H2
InChIKeySHXJOTHVQQVCMC-UHFFFAOYSA-N
XLogP0.33
TPSA102.92 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-(2-hydroxyethyl)-2-[hydroxy-(2-hydroxyphenyl)methyl]pyridin-4-one?
The IUPAC name of 3-hydroxy-1-(2-hydroxyethyl)-2-[hydroxy-(2-hydroxyphenyl)methyl]pyridin-4-one (CID 21474443) is 3-hydroxy-1-(2-hydroxyethyl)-2-[hydroxy-(2-hydroxyphenyl)methyl]pyridin-4-one.
What is the SMILES notation for 3-hydroxy-1-(2-hydroxyethyl)-2-[hydroxy-(2-hydroxyphenyl)methyl]pyridin-4-one?
The canonical SMILES for 3-hydroxy-1-(2-hydroxyethyl)-2-[hydroxy-(2-hydroxyphenyl)methyl]pyridin-4-one is O=c1ccn(CCO)c(C(O)c2ccccc2O)c1O.
What is the InChIKey of 3-hydroxy-1-(2-hydroxyethyl)-2-[hydroxy-(2-hydroxyphenyl)methyl]pyridin-4-one?
The InChIKey is SHXJOTHVQQVCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5/c16-8-7-15-6-5-11(18)14(20)12(15)13(19)9-3-1-2-4-10(9)17/h1-6,13,16-17,19-20H,7-8H2.
What are the key properties of 3-hydroxy-1-(2-hydroxyethyl)-2-[hydroxy-(2-hydroxyphenyl)methyl]pyridin-4-one?
3-hydroxy-1-(2-hydroxyethyl)-2-[hydroxy-(2-hydroxyphenyl)methyl]pyridin-4-one has a molecular weight of 277.28 g/mol, XLogP of 0.33, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-(2-hydroxyethyl)-2-[hydroxy-(2-hydroxyphenyl)methyl]pyridin-4-one is sourced from PubChem (CID 21474443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).