ethyl 5-(4-hydroxyphenyl)-4-methoxy-2-oxo-1H-pyridine-3-carboxylate

C15H15NO5 — CID 90667392

IUPACethyl 5-(4-hydroxyphenyl)-4-methoxy-2-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(OC)c(-c2ccc(O)cc2)c[nH]c1=O
InChIInChI=1S/C15H15NO5/c1-3-21-15(19)12-13(20-2)11(8-16-14(12)18)9-4-6-10(17)7-5-9/h4-8,17H,3H2,1-2H3,(H,16,18)
InChIKeyWQHBGXVZWWBPMV-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.93
Rot. Bonds4

About ethyl 5-(4-hydroxyphenyl)-4-methoxy-2-oxo-1H-pyridine-3-carboxylate

ethyl 5-(4-hydroxyphenyl)-4-methoxy-2-oxo-1H-pyridine-3-carboxylate (PubChem CID 90667392) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is ethyl 5-(4-hydroxyphenyl)-4-methoxy-2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-hydroxyphenyl)-4-methoxy-2-oxo-1H-pyridine-3-carboxylate
PubChem CID90667392
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Nameethyl 5-(4-hydroxyphenyl)-4-methoxy-2-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(OC)c(-c2ccc(O)cc2)c[nH]c1=O
InChIInChI=1S/C15H15NO5/c1-3-21-15(19)12-13(20-2)11(8-16-14(12)18)9-4-6-10(17)7-5-9/h4-8,17H,3H2,1-2H3,(H,16,18)
InChIKeyWQHBGXVZWWBPMV-UHFFFAOYSA-N
XLogP1.93
TPSA88.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-hydroxyphenyl)-4-methoxy-2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of ethyl 5-(4-hydroxyphenyl)-4-methoxy-2-oxo-1H-pyridine-3-carboxylate (CID 90667392) is ethyl 5-(4-hydroxyphenyl)-4-methoxy-2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-(4-hydroxyphenyl)-4-methoxy-2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-(4-hydroxyphenyl)-4-methoxy-2-oxo-1H-pyridine-3-carboxylate is CCOC(=O)c1c(OC)c(-c2ccc(O)cc2)c[nH]c1=O.
What is the InChIKey of ethyl 5-(4-hydroxyphenyl)-4-methoxy-2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is WQHBGXVZWWBPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5/c1-3-21-15(19)12-13(20-2)11(8-16-14(12)18)9-4-6-10(17)7-5-9/h4-8,17H,3H2,1-2H3,(H,16,18).
What are the key properties of ethyl 5-(4-hydroxyphenyl)-4-methoxy-2-oxo-1H-pyridine-3-carboxylate?
ethyl 5-(4-hydroxyphenyl)-4-methoxy-2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 289.29 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-hydroxyphenyl)-4-methoxy-2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 90667392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).