dimethyl 4-ethoxypyridine-2,6-dicarboxylate

C11H13NO5 — CID 73212602

IUPACdimethyl 4-ethoxypyridine-2,6-dicarboxylate
SMILESCCOc1cc(C(=O)OC)nc(C(=O)OC)c1
InChIInChI=1S/C11H13NO5/c1-4-17-7-5-8(10(13)15-2)12-9(6-7)11(14)16-3/h5-6H,4H2,1-3H3
InChIKeyMOAYXPXLNHNZEL-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.05
Rot. Bonds4

About dimethyl 4-ethoxypyridine-2,6-dicarboxylate

dimethyl 4-ethoxypyridine-2,6-dicarboxylate (PubChem CID 73212602) has the molecular formula C11H13NO5 and a molecular weight of 239.23 g/mol. Its IUPAC name is dimethyl 4-ethoxypyridine-2,6-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-ethoxypyridine-2,6-dicarboxylate
PubChem CID73212602
Molecular FormulaC11H13NO5
Molecular Weight239.23 g/mol
Exact Mass239.08
IUPAC Namedimethyl 4-ethoxypyridine-2,6-dicarboxylate
SMILESCCOc1cc(C(=O)OC)nc(C(=O)OC)c1
InChIInChI=1S/C11H13NO5/c1-4-17-7-5-8(10(13)15-2)12-9(6-7)11(14)16-3/h5-6H,4H2,1-3H3
InChIKeyMOAYXPXLNHNZEL-UHFFFAOYSA-N
XLogP1.05
TPSA74.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethoxy-6-methoxycarbonylpyridine-2-carboxylic acid
CID 23292064
diethyl 4-ethoxypyridine-2,6-dicarboxylate
CID 46708188
methyl 6-(4-ethoxyphenyl)-4-fluoropyridine-2-carboxylate
CID 167450972
dimethyl 4-propylpyridine-2,6-dicarboxylate
CID 138532950
methyl 4-ethoxy-2,6-dimethylbenzoate
CID 82552476
methyl 4-ethoxy-6-phenylpyridine-2-carboxylate;2-phenylacetamide
CID 20537542
methyl 3-amino-5-ethoxybenzoate
CID 45089063
dimethyl 4-(trifluoromethylsulfonyloxy)pyridine-2,6-dicarboxylate
CID 10712378
methyl 4-ethoxy-6,7-difluoroquinoline-2-carboxylate
CID 102941956
methyl 3-bromo-5-ethoxy-2-hydroxybenzoate
CID 90416815
methyl 6-chloro-4-methoxypyridine-2-carboxylate
CID 45489866
methyl 5-(4-ethoxyphenyl)-1-methylpyrazole-3-carboxylate
CID 62269593

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-ethoxypyridine-2,6-dicarboxylate?
The IUPAC name of dimethyl 4-ethoxypyridine-2,6-dicarboxylate (CID 73212602) is dimethyl 4-ethoxypyridine-2,6-dicarboxylate.
What is the SMILES notation for dimethyl 4-ethoxypyridine-2,6-dicarboxylate?
The canonical SMILES for dimethyl 4-ethoxypyridine-2,6-dicarboxylate is CCOc1cc(C(=O)OC)nc(C(=O)OC)c1.
What is the InChIKey of dimethyl 4-ethoxypyridine-2,6-dicarboxylate?
The InChIKey is MOAYXPXLNHNZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5/c1-4-17-7-5-8(10(13)15-2)12-9(6-7)11(14)16-3/h5-6H,4H2,1-3H3.
What are the key properties of dimethyl 4-ethoxypyridine-2,6-dicarboxylate?
dimethyl 4-ethoxypyridine-2,6-dicarboxylate has a molecular weight of 239.23 g/mol, XLogP of 1.05, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-ethoxypyridine-2,6-dicarboxylate is sourced from PubChem (CID 73212602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).