diethyl 4-aminopyridine-2,6-dicarboxylate;hydrochloride

C11H15ClN2O4 — CID 137333254

IUPACdiethyl 4-aminopyridine-2,6-dicarboxylate;hydrochloride
SMILESCCOC(=O)c1cc(N)cc(C(=O)OCC)n1.Cl
InChIInChI=1S/C11H14N2O4.ClH/c1-3-16-10(14)8-5-7(12)6-9(13-8)11(15)17-4-2;/h5-6H,3-4H2,1-2H3,(H2,12,13);1H
InChIKeyJNILXLRUCNZHOZ-UHFFFAOYSA-N
MW274.70 g/mol
LogP1.44
Rot. Bonds4

About diethyl 4-aminopyridine-2,6-dicarboxylate;hydrochloride

diethyl 4-aminopyridine-2,6-dicarboxylate;hydrochloride (PubChem CID 137333254) has the molecular formula C11H15ClN2O4 and a molecular weight of 274.70 g/mol. Its IUPAC name is diethyl 4-aminopyridine-2,6-dicarboxylate;hydrochloride.

Molecular Properties

Compound Namediethyl 4-aminopyridine-2,6-dicarboxylate;hydrochloride
PubChem CID137333254
Molecular FormulaC11H15ClN2O4
Molecular Weight274.70 g/mol
Exact Mass274.07
IUPAC Namediethyl 4-aminopyridine-2,6-dicarboxylate;hydrochloride
SMILESCCOC(=O)c1cc(N)cc(C(=O)OCC)n1.Cl
InChIInChI=1S/C11H14N2O4.ClH/c1-3-16-10(14)8-5-7(12)6-9(13-8)11(15)17-4-2;/h5-6H,3-4H2,1-2H3,(H2,12,13);1H
InChIKeyJNILXLRUCNZHOZ-UHFFFAOYSA-N
XLogP1.44
TPSA91.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.70
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

diethyl 4-ethoxypyridine-2,6-dicarboxylate
CID 46708188
ethyl 5-aminopyridazine-3-carboxylate
CID 58897536
ethyl 2-chloro-6-methylpyrimidine-4-carboxylate
CID 2736385
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 2-(aminomethyl)-1,3-thiazole-4-carboxylate;hydrochloride
CID 71697793
ethyl 6-methyl-2-methylsulfanylpyrimidine-4-carboxylate
CID 69277954
ethyl 6-(3-amino-5-methylphenyl)pyridine-2-carboxylate
CID 137423081
ethyl 6-(2-bromoacetyl)-4-(dimethylamino)pyridine-2-carboxylate
CID 22067663
ethyl 2-amino-1,3-thiazole-4-carboxylate;ethyl 2-bromo-1,3-thiazole-4-carboxylate
CID 158338935
ethyl 6-methyl-2-methylsulfonylpyrimidine-4-carboxylate
CID 155487640
ethyl 4-chloro-6-(chloromethyl)pyridine-2-carboxylate
CID 122609392
ethyl 5,6-diamino-2-methylpyridine-3-carboxylate
CID 170959467

Frequently Asked Questions

What is the IUPAC name of diethyl 4-aminopyridine-2,6-dicarboxylate;hydrochloride?
The IUPAC name of diethyl 4-aminopyridine-2,6-dicarboxylate;hydrochloride (CID 137333254) is diethyl 4-aminopyridine-2,6-dicarboxylate;hydrochloride.
What is the SMILES notation for diethyl 4-aminopyridine-2,6-dicarboxylate;hydrochloride?
The canonical SMILES for diethyl 4-aminopyridine-2,6-dicarboxylate;hydrochloride is CCOC(=O)c1cc(N)cc(C(=O)OCC)n1.Cl.
What is the InChIKey of diethyl 4-aminopyridine-2,6-dicarboxylate;hydrochloride?
The InChIKey is JNILXLRUCNZHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4.ClH/c1-3-16-10(14)8-5-7(12)6-9(13-8)11(15)17-4-2;/h5-6H,3-4H2,1-2H3,(H2,12,13);1H.
What are the key properties of diethyl 4-aminopyridine-2,6-dicarboxylate;hydrochloride?
diethyl 4-aminopyridine-2,6-dicarboxylate;hydrochloride has a molecular weight of 274.70 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 4-aminopyridine-2,6-dicarboxylate;hydrochloride is sourced from PubChem (CID 137333254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).