ethyl 5-hydroxy-2-methyl-4-oxo-1-phenylpyridine-3-carboxylate

C15H15NO4 — CID 130423169

IUPACethyl 5-hydroxy-2-methyl-4-oxo-1-phenylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)n(-c2ccccc2)cc(O)c1=O
InChIInChI=1S/C15H15NO4/c1-3-20-15(19)13-10(2)16(9-12(17)14(13)18)11-7-5-4-6-8-11/h4-9,17H,3H2,1-2H3
InChIKeyWDXJPPRWTIZWAI-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.03
Rot. Bonds3

About ethyl 5-hydroxy-2-methyl-4-oxo-1-phenylpyridine-3-carboxylate

ethyl 5-hydroxy-2-methyl-4-oxo-1-phenylpyridine-3-carboxylate (PubChem CID 130423169) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is ethyl 5-hydroxy-2-methyl-4-oxo-1-phenylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-hydroxy-2-methyl-4-oxo-1-phenylpyridine-3-carboxylate
PubChem CID130423169
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Nameethyl 5-hydroxy-2-methyl-4-oxo-1-phenylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)n(-c2ccccc2)cc(O)c1=O
InChIInChI=1S/C15H15NO4/c1-3-20-15(19)13-10(2)16(9-12(17)14(13)18)11-7-5-4-6-8-11/h4-9,17H,3H2,1-2H3
InChIKeyWDXJPPRWTIZWAI-UHFFFAOYSA-N
XLogP2.03
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-hydroxy-2-methyl-4-oxo-1-phenylpyridine-3-carboxylate?
The IUPAC name of ethyl 5-hydroxy-2-methyl-4-oxo-1-phenylpyridine-3-carboxylate (CID 130423169) is ethyl 5-hydroxy-2-methyl-4-oxo-1-phenylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-hydroxy-2-methyl-4-oxo-1-phenylpyridine-3-carboxylate?
The canonical SMILES for ethyl 5-hydroxy-2-methyl-4-oxo-1-phenylpyridine-3-carboxylate is CCOC(=O)c1c(C)n(-c2ccccc2)cc(O)c1=O.
What is the InChIKey of ethyl 5-hydroxy-2-methyl-4-oxo-1-phenylpyridine-3-carboxylate?
The InChIKey is WDXJPPRWTIZWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-3-20-15(19)13-10(2)16(9-12(17)14(13)18)11-7-5-4-6-8-11/h4-9,17H,3H2,1-2H3.
What are the key properties of ethyl 5-hydroxy-2-methyl-4-oxo-1-phenylpyridine-3-carboxylate?
ethyl 5-hydroxy-2-methyl-4-oxo-1-phenylpyridine-3-carboxylate has a molecular weight of 273.29 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-hydroxy-2-methyl-4-oxo-1-phenylpyridine-3-carboxylate is sourced from PubChem (CID 130423169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).