diethyl 4-ethoxypyridine-2,6-dicarboxylate

C13H17NO5 — CID 46708188

IUPACdiethyl 4-ethoxypyridine-2,6-dicarboxylate
SMILESCCOC(=O)c1cc(OCC)cc(C(=O)OCC)n1
InChIInChI=1S/C13H17NO5/c1-4-17-9-7-10(12(15)18-5-2)14-11(8-9)13(16)19-6-3/h7-8H,4-6H2,1-3H3
InChIKeyNNRRKCKQJPIZTM-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.83
Rot. Bonds6

About diethyl 4-ethoxypyridine-2,6-dicarboxylate

diethyl 4-ethoxypyridine-2,6-dicarboxylate (PubChem CID 46708188) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is diethyl 4-ethoxypyridine-2,6-dicarboxylate.

Molecular Properties

Compound Namediethyl 4-ethoxypyridine-2,6-dicarboxylate
PubChem CID46708188
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Namediethyl 4-ethoxypyridine-2,6-dicarboxylate
SMILESCCOC(=O)c1cc(OCC)cc(C(=O)OCC)n1
InChIInChI=1S/C13H17NO5/c1-4-17-9-7-10(12(15)18-5-2)14-11(8-9)13(16)19-6-3/h7-8H,4-6H2,1-3H3
InChIKeyNNRRKCKQJPIZTM-UHFFFAOYSA-N
XLogP1.83
TPSA74.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

dimethyl 4-ethoxypyridine-2,6-dicarboxylate
CID 73212602
4-ethoxy-6-methoxycarbonylpyridine-2-carboxylic acid
CID 23292064
diethyl 4-aminopyridine-2,6-dicarboxylate;hydrochloride
CID 137333254
ethyl 6-acetyl-4-phenylmethoxypyridine-2-carboxylate
CID 90294474
diethyl 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]pyridine-2,6-dicarboxylate
CID 67145385
diethyl 4-[4-methyl-4-(methyldisulfanyl)pentoxy]pyridine-2,6-dicarboxylate
CID 86671278
ethyl 4-(4-ethoxyphenyl)pyridine-2-carboxylate
CID 162649952
ethyl 2-chloro-6-methylpyrimidine-4-carboxylate
CID 2736385
ethyl 3-amino-5-ethoxybenzoate
CID 58424919
ethyl 4-chloro-6-(chloromethyl)pyridine-2-carboxylate
CID 122609392
diethyl 4-[5-[4-[5-[2,6-bis(ethoxycarbonyl)-4-pyridinyl]thiophen-2-yl]phenyl]thiophen-2-yl]pyridine-2,6-dicarboxylate
CID 102149888
ethyl 3-ethoxy-5-propanoylbenzoate
CID 134642064

Frequently Asked Questions

What is the IUPAC name of diethyl 4-ethoxypyridine-2,6-dicarboxylate?
The IUPAC name of diethyl 4-ethoxypyridine-2,6-dicarboxylate (CID 46708188) is diethyl 4-ethoxypyridine-2,6-dicarboxylate.
What is the SMILES notation for diethyl 4-ethoxypyridine-2,6-dicarboxylate?
The canonical SMILES for diethyl 4-ethoxypyridine-2,6-dicarboxylate is CCOC(=O)c1cc(OCC)cc(C(=O)OCC)n1.
What is the InChIKey of diethyl 4-ethoxypyridine-2,6-dicarboxylate?
The InChIKey is NNRRKCKQJPIZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-4-17-9-7-10(12(15)18-5-2)14-11(8-9)13(16)19-6-3/h7-8H,4-6H2,1-3H3.
What are the key properties of diethyl 4-ethoxypyridine-2,6-dicarboxylate?
diethyl 4-ethoxypyridine-2,6-dicarboxylate has a molecular weight of 267.28 g/mol, XLogP of 1.83, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 4-ethoxypyridine-2,6-dicarboxylate is sourced from PubChem (CID 46708188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).