5-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]-4-oxopyridine-3-carboxylic acid

C14H13NO5 — CID 58067675

IUPAC5-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]-4-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cn(CCc2ccc(O)cc2)cc(O)c1=O
InChIInChI=1S/C14H13NO5/c16-10-3-1-9(2-4-10)5-6-15-7-11(14(19)20)13(18)12(17)8-15/h1-4,7-8,16-17H,5-6H2,(H,19,20)
InChIKeyHYVMRATURLTOLY-UHFFFAOYSA-N
MW275.26 g/mol
LogP1.20
Rot. Bonds4

About 5-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]-4-oxopyridine-3-carboxylic acid

5-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]-4-oxopyridine-3-carboxylic acid (PubChem CID 58067675) has the molecular formula C14H13NO5 and a molecular weight of 275.26 g/mol. Its IUPAC name is 5-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]-4-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]-4-oxopyridine-3-carboxylic acid
PubChem CID58067675
Molecular FormulaC14H13NO5
Molecular Weight275.26 g/mol
Exact Mass275.08
IUPAC Name5-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]-4-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cn(CCc2ccc(O)cc2)cc(O)c1=O
InChIInChI=1S/C14H13NO5/c16-10-3-1-9(2-4-10)5-6-15-7-11(14(19)20)13(18)12(17)8-15/h1-4,7-8,16-17H,5-6H2,(H,19,20)
InChIKeyHYVMRATURLTOLY-UHFFFAOYSA-N
XLogP1.20
TPSA99.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-Hydroxy-4-oxo-1-(2-phenylethyl)pyridine-3-carboxylic acid
CID 58067537
5-Hydroxy-4-oxo-1-(3-phenylpropyl)pyridine-3-carboxylic acid
CID 58067661
5-Hydroxy-1-[(4-methoxyphenyl)methyl]-4-oxo-pyridine-3-carboxylic acid
CID 58067807
3-Hydroxy-1-[2-(4-hydroxyphenyl)ethyl]-2-methylpyridin-4-one
CID 404687
1-Ethyl-6-(4-hydroxyphenyl)-4-oxopyridine-3-carboxylic acid
CID 13209212
5-Hydroxy-1-[[2-(3-hydroxyphenyl)phenyl]methyl]-4-oxopyridine-3-carboxylic acid
CID 58067713
1-[[1-(3,4-Dihydroxyphenyl)cyclopentyl]methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid
CID 68068998
5-Hydroxy-1-[[2-(3-hydroxyphenyl)cyclohexa-1,5-dien-1-yl]methyl]-4-oxopyridine-3-carboxylic acid
CID 144059537
Dimethyl 1-[2-(4-hydroxyphenyl)ethyl]-4-oxopyridine-3,5-dicarboxylate
CID 17339236
1-[2-(4-Hydroxyphenyl)ethyl]-6-oxopyridine-3-carboxylic acid
CID 61726631
2-Ethyl-3-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]pyridin-4-one
CID 82212023
1-[(4-Hydroxyphenyl)methyl]-6-methyl-4-oxopyridine-3-carboxylic acid
CID 108099384

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]-4-oxopyridine-3-carboxylic acid?
The IUPAC name of 5-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]-4-oxopyridine-3-carboxylic acid (CID 58067675) is 5-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]-4-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 5-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]-4-oxopyridine-3-carboxylic acid?
The canonical SMILES for 5-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]-4-oxopyridine-3-carboxylic acid is O=C(O)c1cn(CCc2ccc(O)cc2)cc(O)c1=O.
What is the InChIKey of 5-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]-4-oxopyridine-3-carboxylic acid?
The InChIKey is HYVMRATURLTOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO5/c16-10-3-1-9(2-4-10)5-6-15-7-11(14(19)20)13(18)12(17)8-15/h1-4,7-8,16-17H,5-6H2,(H,19,20).
What are the key properties of 5-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]-4-oxopyridine-3-carboxylic acid?
5-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]-4-oxopyridine-3-carboxylic acid has a molecular weight of 275.26 g/mol, XLogP of 1.20, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]-4-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 58067675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).