ethyl 4-hydroxy-2-methyl-6-oxo-5-phenyl-1H-pyridine-3-carboxylate

C15H15NO4 — CID 54688712

IUPACethyl 4-hydroxy-2-methyl-6-oxo-5-phenyl-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c(=O)c(-c2ccccc2)c1O
InChIInChI=1S/C15H15NO4/c1-3-20-15(19)11-9(2)16-14(18)12(13(11)17)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H2,16,17,18)
InChIKeyWCTVEONIUSTFIF-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.23
Rot. Bonds3

About ethyl 4-hydroxy-2-methyl-6-oxo-5-phenyl-1H-pyridine-3-carboxylate

ethyl 4-hydroxy-2-methyl-6-oxo-5-phenyl-1H-pyridine-3-carboxylate (PubChem CID 54688712) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is ethyl 4-hydroxy-2-methyl-6-oxo-5-phenyl-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-2-methyl-6-oxo-5-phenyl-1H-pyridine-3-carboxylate
PubChem CID54688712
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Nameethyl 4-hydroxy-2-methyl-6-oxo-5-phenyl-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c(=O)c(-c2ccccc2)c1O
InChIInChI=1S/C15H15NO4/c1-3-20-15(19)11-9(2)16-14(18)12(13(11)17)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H2,16,17,18)
InChIKeyWCTVEONIUSTFIF-UHFFFAOYSA-N
XLogP2.23
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-2-methyl-6-oxo-5-phenyl-1H-pyridine-3-carboxylate?
The IUPAC name of ethyl 4-hydroxy-2-methyl-6-oxo-5-phenyl-1H-pyridine-3-carboxylate (CID 54688712) is ethyl 4-hydroxy-2-methyl-6-oxo-5-phenyl-1H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-2-methyl-6-oxo-5-phenyl-1H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-2-methyl-6-oxo-5-phenyl-1H-pyridine-3-carboxylate is CCOC(=O)c1c(C)[nH]c(=O)c(-c2ccccc2)c1O.
What is the InChIKey of ethyl 4-hydroxy-2-methyl-6-oxo-5-phenyl-1H-pyridine-3-carboxylate?
The InChIKey is WCTVEONIUSTFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-3-20-15(19)11-9(2)16-14(18)12(13(11)17)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H2,16,17,18).
What are the key properties of ethyl 4-hydroxy-2-methyl-6-oxo-5-phenyl-1H-pyridine-3-carboxylate?
ethyl 4-hydroxy-2-methyl-6-oxo-5-phenyl-1H-pyridine-3-carboxylate has a molecular weight of 273.29 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-2-methyl-6-oxo-5-phenyl-1H-pyridine-3-carboxylate is sourced from PubChem (CID 54688712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).