ethyl 2-benzyl-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate

C15H15NO4 — CID 70608666

IUPACethyl 2-benzyl-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(O)cc(=O)[nH]c1Cc1ccccc1
InChIInChI=1S/C15H15NO4/c1-2-20-15(19)14-11(16-13(18)9-12(14)17)8-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H2,16,17,18)
InChIKeyUHKBYNHUVGSJGU-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.85
Rot. Bonds4

About ethyl 2-benzyl-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate

ethyl 2-benzyl-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate (PubChem CID 70608666) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is ethyl 2-benzyl-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-benzyl-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
PubChem CID70608666
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Nameethyl 2-benzyl-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(O)cc(=O)[nH]c1Cc1ccccc1
InChIInChI=1S/C15H15NO4/c1-2-20-15(19)14-11(16-13(18)9-12(14)17)8-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H2,16,17,18)
InChIKeyUHKBYNHUVGSJGU-UHFFFAOYSA-N
XLogP1.85
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-benzyl-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of ethyl 2-benzyl-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate (CID 70608666) is ethyl 2-benzyl-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-benzyl-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-benzyl-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate is CCOC(=O)c1c(O)cc(=O)[nH]c1Cc1ccccc1.
What is the InChIKey of ethyl 2-benzyl-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate?
The InChIKey is UHKBYNHUVGSJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-2-20-15(19)14-11(16-13(18)9-12(14)17)8-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H2,16,17,18).
What are the key properties of ethyl 2-benzyl-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate?
ethyl 2-benzyl-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate has a molecular weight of 273.29 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-benzyl-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 70608666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).