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

C19H15NO5 — CID 58067713

IUPAC5-hydroxy-1-[[2-(3-hydroxyphenyl)phenyl]methyl]-4-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccccc2-c2cccc(O)c2)cc(O)c1=O
InChIInChI=1S/C19H15NO5/c21-14-6-3-5-12(8-14)15-7-2-1-4-13(15)9-20-10-16(19(24)25)18(23)17(22)11-20/h1-8,10-11,21-22H,9H2,(H,24,25)
InChIKeyRSNIDGGOCCWAKW-UHFFFAOYSA-N
MW337.33 g/mol
LogP2.67
Rot. Bonds4

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

5-hydroxy-1-[[2-(3-hydroxyphenyl)phenyl]methyl]-4-oxopyridine-3-carboxylic acid (PubChem CID 58067713) has the molecular formula C19H15NO5 and a molecular weight of 337.33 g/mol. Its IUPAC name is 5-hydroxy-1-[[2-(3-hydroxyphenyl)phenyl]methyl]-4-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-1-[[2-(3-hydroxyphenyl)phenyl]methyl]-4-oxopyridine-3-carboxylic acid
PubChem CID58067713
Molecular FormulaC19H15NO5
Molecular Weight337.33 g/mol
Exact Mass337.10
IUPAC Name5-hydroxy-1-[[2-(3-hydroxyphenyl)phenyl]methyl]-4-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccccc2-c2cccc(O)c2)cc(O)c1=O
InChIInChI=1S/C19H15NO5/c21-14-6-3-5-12(8-14)15-7-2-1-4-13(15)9-20-10-16(19(24)25)18(23)17(22)11-20/h1-8,10-11,21-22H,9H2,(H,24,25)
InChIKeyRSNIDGGOCCWAKW-UHFFFAOYSA-N
XLogP2.67
TPSA99.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-[[2-(3-hydroxyphenyl)phenyl]methyl]-4-oxopyridine-3-carboxylic acid?
The IUPAC name of 5-hydroxy-1-[[2-(3-hydroxyphenyl)phenyl]methyl]-4-oxopyridine-3-carboxylic acid (CID 58067713) is 5-hydroxy-1-[[2-(3-hydroxyphenyl)phenyl]methyl]-4-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 5-hydroxy-1-[[2-(3-hydroxyphenyl)phenyl]methyl]-4-oxopyridine-3-carboxylic acid?
The canonical SMILES for 5-hydroxy-1-[[2-(3-hydroxyphenyl)phenyl]methyl]-4-oxopyridine-3-carboxylic acid is O=C(O)c1cn(Cc2ccccc2-c2cccc(O)c2)cc(O)c1=O.
What is the InChIKey of 5-hydroxy-1-[[2-(3-hydroxyphenyl)phenyl]methyl]-4-oxopyridine-3-carboxylic acid?
The InChIKey is RSNIDGGOCCWAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO5/c21-14-6-3-5-12(8-14)15-7-2-1-4-13(15)9-20-10-16(19(24)25)18(23)17(22)11-20/h1-8,10-11,21-22H,9H2,(H,24,25).
What are the key properties of 5-hydroxy-1-[[2-(3-hydroxyphenyl)phenyl]methyl]-4-oxopyridine-3-carboxylic acid?
5-hydroxy-1-[[2-(3-hydroxyphenyl)phenyl]methyl]-4-oxopyridine-3-carboxylic acid has a molecular weight of 337.33 g/mol, XLogP of 2.67, 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-(3-hydroxyphenyl)phenyl]methyl]-4-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 58067713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).