5-hydroxy-1-[(4-methoxyphenyl)methyl]-4-oxopyridine-3-carboxylic acid

C14H13NO5 — CID 58067807

IUPAC5-hydroxy-1-[(4-methoxyphenyl)methyl]-4-oxopyridine-3-carboxylic acid
SMILESCOc1ccc(Cn2cc(O)c(=O)c(C(=O)O)c2)cc1
InChIInChI=1S/C14H13NO5/c1-20-10-4-2-9(3-5-10)6-15-7-11(14(18)19)13(17)12(16)8-15/h2-5,7-8,16H,6H2,1H3,(H,18,19)
InChIKeyFYOCYXXNMQBNSP-UHFFFAOYSA-N
MW275.26 g/mol
LogP1.31
Rot. Bonds4

About 5-hydroxy-1-[(4-methoxyphenyl)methyl]-4-oxopyridine-3-carboxylic acid

5-hydroxy-1-[(4-methoxyphenyl)methyl]-4-oxopyridine-3-carboxylic acid (PubChem CID 58067807) has the molecular formula C14H13NO5 and a molecular weight of 275.26 g/mol. Its IUPAC name is 5-hydroxy-1-[(4-methoxyphenyl)methyl]-4-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-1-[(4-methoxyphenyl)methyl]-4-oxopyridine-3-carboxylic acid
PubChem CID58067807
Molecular FormulaC14H13NO5
Molecular Weight275.26 g/mol
Exact Mass275.08
IUPAC Name5-hydroxy-1-[(4-methoxyphenyl)methyl]-4-oxopyridine-3-carboxylic acid
SMILESCOc1ccc(Cn2cc(O)c(=O)c(C(=O)O)c2)cc1
InChIInChI=1S/C14H13NO5/c1-20-10-4-2-9(3-5-10)6-15-7-11(14(18)19)13(17)12(16)8-15/h2-5,7-8,16H,6H2,1H3,(H,18,19)
InChIKeyFYOCYXXNMQBNSP-UHFFFAOYSA-N
XLogP1.31
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-[(4-methoxyphenyl)methyl]-4-oxopyridine-3-carboxylic acid?
The IUPAC name of 5-hydroxy-1-[(4-methoxyphenyl)methyl]-4-oxopyridine-3-carboxylic acid (CID 58067807) is 5-hydroxy-1-[(4-methoxyphenyl)methyl]-4-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 5-hydroxy-1-[(4-methoxyphenyl)methyl]-4-oxopyridine-3-carboxylic acid?
The canonical SMILES for 5-hydroxy-1-[(4-methoxyphenyl)methyl]-4-oxopyridine-3-carboxylic acid is COc1ccc(Cn2cc(O)c(=O)c(C(=O)O)c2)cc1.
What is the InChIKey of 5-hydroxy-1-[(4-methoxyphenyl)methyl]-4-oxopyridine-3-carboxylic acid?
The InChIKey is FYOCYXXNMQBNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO5/c1-20-10-4-2-9(3-5-10)6-15-7-11(14(18)19)13(17)12(16)8-15/h2-5,7-8,16H,6H2,1H3,(H,18,19).
What are the key properties of 5-hydroxy-1-[(4-methoxyphenyl)methyl]-4-oxopyridine-3-carboxylic acid?
5-hydroxy-1-[(4-methoxyphenyl)methyl]-4-oxopyridine-3-carboxylic acid has a molecular weight of 275.26 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-[(4-methoxyphenyl)methyl]-4-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 58067807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).