3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)-2-[hydroxy(phenyl)methyl]pyridin-4-one

C15H17NO5 — CID 21474436

IUPAC3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)-2-[hydroxy(phenyl)methyl]pyridin-4-one
SMILESO=c1cc(CO)n(CCO)c(C(O)c2ccccc2)c1O
InChIInChI=1S/C15H17NO5/c17-7-6-16-11(9-18)8-12(19)15(21)13(16)14(20)10-4-2-1-3-5-10/h1-5,8,14,17-18,20-21H,6-7,9H2
InChIKeyBLTJESCLBGDNMS-UHFFFAOYSA-N
MW291.30 g/mol
LogP0.12
Rot. Bonds5

About 3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)-2-[hydroxy(phenyl)methyl]pyridin-4-one

3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)-2-[hydroxy(phenyl)methyl]pyridin-4-one (PubChem CID 21474436) has the molecular formula C15H17NO5 and a molecular weight of 291.30 g/mol. Its IUPAC name is 3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)-2-[hydroxy(phenyl)methyl]pyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)-2-[hydroxy(phenyl)methyl]pyridin-4-one
PubChem CID21474436
Molecular FormulaC15H17NO5
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)-2-[hydroxy(phenyl)methyl]pyridin-4-one
SMILESO=c1cc(CO)n(CCO)c(C(O)c2ccccc2)c1O
InChIInChI=1S/C15H17NO5/c17-7-6-16-11(9-18)8-12(19)15(21)13(16)14(20)10-4-2-1-3-5-10/h1-5,8,14,17-18,20-21H,6-7,9H2
InChIKeyBLTJESCLBGDNMS-UHFFFAOYSA-N
XLogP0.12
TPSA102.92 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 50.12
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)-6-(hydroxymethyl)-2-[hydroxy(phenyl)methyl]pyridin-4-one?
The IUPAC name of 3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)-2-[hydroxy(phenyl)methyl]pyridin-4-one (CID 21474436) is 3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)-2-[hydroxy(phenyl)methyl]pyridin-4-one.
What is the SMILES notation for 3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)-2-[hydroxy(phenyl)methyl]pyridin-4-one?
The canonical SMILES for 3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)-2-[hydroxy(phenyl)methyl]pyridin-4-one is O=c1cc(CO)n(CCO)c(C(O)c2ccccc2)c1O.
What is the InChIKey of 3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)-2-[hydroxy(phenyl)methyl]pyridin-4-one?
The InChIKey is BLTJESCLBGDNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO5/c17-7-6-16-11(9-18)8-12(19)15(21)13(16)14(20)10-4-2-1-3-5-10/h1-5,8,14,17-18,20-21H,6-7,9H2.
What are the key properties of 3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)-2-[hydroxy(phenyl)methyl]pyridin-4-one?
3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)-2-[hydroxy(phenyl)methyl]pyridin-4-one has a molecular weight of 291.30 g/mol, XLogP of 0.12, 5 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)-6-(hydroxymethyl)-2-[hydroxy(phenyl)methyl]pyridin-4-one is sourced from PubChem (CID 21474436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).