ethyl 5-methoxy-2-methyl-6-oxo-1H-pyridine-3-carboxylate

C10H13NO4 — CID 69225135

IUPACethyl 5-methoxy-2-methyl-6-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(OC)c(=O)[nH]c1C
InChIInChI=1S/C10H13NO4/c1-4-15-10(13)7-5-8(14-3)9(12)11-6(7)2/h5H,4H2,1-3H3,(H,11,12)
InChIKeyBSLUEQOTLYAQSE-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.87
Rot. Bonds3

About ethyl 5-methoxy-2-methyl-6-oxo-1H-pyridine-3-carboxylate

ethyl 5-methoxy-2-methyl-6-oxo-1H-pyridine-3-carboxylate (PubChem CID 69225135) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is ethyl 5-methoxy-2-methyl-6-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-methoxy-2-methyl-6-oxo-1H-pyridine-3-carboxylate
PubChem CID69225135
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Nameethyl 5-methoxy-2-methyl-6-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(OC)c(=O)[nH]c1C
InChIInChI=1S/C10H13NO4/c1-4-15-10(13)7-5-8(14-3)9(12)11-6(7)2/h5H,4H2,1-3H3,(H,11,12)
InChIKeyBSLUEQOTLYAQSE-UHFFFAOYSA-N
XLogP0.87
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

diethyl 2-methyl-6-oxo-1H-pyridine-3,5-dicarboxylate
CID 754450
ethyl 8-methoxy-2-oxo-1H-quinoline-3-carboxylate
CID 22509332
ethyl 2-fluoro-4,5-dimethoxybenzoate
CID 163198249
ethyl 5-acetyl-2-methyl-1H-pyrrole-3-carboxylate
CID 25219910
ethyl 5-[4-(4-ethoxycarbonyl-5-methyl-1H-pyrrol-2-yl)phenyl]-2-methyl-1H-pyrrole-3-carboxylate
CID 135021728
ethyl 2,4-diiodo-5-methoxybenzoate
CID 134645167
ethyl 5-[(4-chlorophenyl)carbamoyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 46320509
ethyl 4,5-diiodo-2-methoxybenzoate
CID 134644512
ethyl 2-amino-3-methoxy-5-methylbenzoate
CID 54595934
ethyl 5-amino-2-methoxybenzoate
CID 22180184
ethyl 2-(113C)methyl-5-(2,2,2-trichloroacetyl)-(2,3-13C2,115N)1H-pyrrole-3-carboxylate
CID 45378502
ethyl 4-methoxythiophene-3-carboxylate
CID 71721051

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methoxy-2-methyl-6-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of ethyl 5-methoxy-2-methyl-6-oxo-1H-pyridine-3-carboxylate (CID 69225135) is ethyl 5-methoxy-2-methyl-6-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-methoxy-2-methyl-6-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-methoxy-2-methyl-6-oxo-1H-pyridine-3-carboxylate is CCOC(=O)c1cc(OC)c(=O)[nH]c1C.
What is the InChIKey of ethyl 5-methoxy-2-methyl-6-oxo-1H-pyridine-3-carboxylate?
The InChIKey is BSLUEQOTLYAQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-4-15-10(13)7-5-8(14-3)9(12)11-6(7)2/h5H,4H2,1-3H3,(H,11,12).
What are the key properties of ethyl 5-methoxy-2-methyl-6-oxo-1H-pyridine-3-carboxylate?
ethyl 5-methoxy-2-methyl-6-oxo-1H-pyridine-3-carboxylate has a molecular weight of 211.22 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methoxy-2-methyl-6-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 69225135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).