ethyl 6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylate

C15H15NO4 — CID 66490254

IUPACethyl 6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(-c2cccc(OC)c2)[nH]c1=O
InChIInChI=1S/C15H15NO4/c1-3-20-15(18)12-7-8-13(16-14(12)17)10-5-4-6-11(9-10)19-2/h4-9H,3H2,1-2H3,(H,16,17)
InChIKeyBHJBIVPYJZCSFV-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.23
Rot. Bonds4

About ethyl 6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylate

ethyl 6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylate (PubChem CID 66490254) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is ethyl 6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylate
PubChem CID66490254
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Nameethyl 6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(-c2cccc(OC)c2)[nH]c1=O
InChIInChI=1S/C15H15NO4/c1-3-20-15(18)12-7-8-13(16-14(12)17)10-5-4-6-11(9-10)19-2/h4-9H,3H2,1-2H3,(H,16,17)
InChIKeyBHJBIVPYJZCSFV-UHFFFAOYSA-N
XLogP2.23
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-amino-5-(3-methoxyphenyl)-1H-pyrrole-3-carboxylate
CID 23282732
ethyl 6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate
CID 66490237
ethyl 5-(3-methoxyphenyl)-1H-imidazole-2-carboxylate
CID 116883542
3-ethoxycarbonyl-2-(3-methoxyphenyl)benzoic acid
CID 169449752
2-oxo-6-(3-propoxyphenyl)-1H-pyridine-3-carbohydrazide
CID 82518239
ethyl 2-amino-5-(3-methoxyphenyl)-4-oxo-3H-pyrido[2,3-d]pyrimidine-7-carboxylate
CID 137290035
ethyl 2-bromo-4-methoxybenzoate
CID 46311272
diethyl 6-methoxyazulene-1,3-dicarboxylate
CID 101063451
diethyl 2-methyl-6-oxo-1H-pyridine-3,5-dicarboxylate
CID 754450
N-[1-(4-methoxyphenyl)propyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 55756377
3-(3-methoxyphenyl)-5-methyl-2H-isoquinolin-1-one
CID 142740971
6-(3-methoxyphenyl)-2-oxo-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-1H-pyridine-3-carboxamide
CID 92627441

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of ethyl 6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylate (CID 66490254) is ethyl 6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylate is CCOC(=O)c1ccc(-c2cccc(OC)c2)[nH]c1=O.
What is the InChIKey of ethyl 6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is BHJBIVPYJZCSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-3-20-15(18)12-7-8-13(16-14(12)17)10-5-4-6-11(9-10)19-2/h4-9H,3H2,1-2H3,(H,16,17).
What are the key properties of ethyl 6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylate?
ethyl 6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 273.29 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 66490254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).