2-ethoxyethyl 3-aminopyridine-2-carboxylate

C10H14N2O3 — CID 115867339

IUPAC2-ethoxyethyl 3-aminopyridine-2-carboxylate
SMILESCCOCCOC(=O)c1ncccc1N
InChIInChI=1S/C10H14N2O3/c1-2-14-6-7-15-10(13)9-8(11)4-3-5-12-9/h3-5H,2,6-7,11H2,1H3
InChIKeyAGDXOZAMSBUOIG-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.86
Rot. Bonds5

About 2-ethoxyethyl 3-aminopyridine-2-carboxylate

2-ethoxyethyl 3-aminopyridine-2-carboxylate (PubChem CID 115867339) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-ethoxyethyl 3-aminopyridine-2-carboxylate.

Molecular Properties

Compound Name2-ethoxyethyl 3-aminopyridine-2-carboxylate
PubChem CID115867339
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-ethoxyethyl 3-aminopyridine-2-carboxylate
SMILESCCOCCOC(=O)c1ncccc1N
InChIInChI=1S/C10H14N2O3/c1-2-14-6-7-15-10(13)9-8(11)4-3-5-12-9/h3-5H,2,6-7,11H2,1H3
InChIKeyAGDXOZAMSBUOIG-UHFFFAOYSA-N
XLogP0.86
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-aminopyridine-2-carboxylate
CID 565054
ethane;ethyl 3-aminopyridine-2-carboxylate
CID 143635646
2-(2-ethoxyethoxy)ethyl 2-aminobenzoate
CID 82096864
ethane;methyl 3-aminopyridine-2-carboxylate
CID 168887245
2-cyclobutylethyl 3-aminopyridine-2-carboxylate
CID 106202957
propyl 3-hydroxypyridine-2-carboxylate
CID 60923594
2-ethoxyethyl 2-amino-6-methoxybenzoate
CID 81414860
2-ethoxyethyl 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 55569349
3-(2-ethoxyethoxy)pyridin-2-amine
CID 43457018
cyclopentylmethyl 3-aminopyridine-2-carboxylate
CID 103993262
ethyl 3-fluoropyridine-2-carboxylate
CID 46311381
3-amino-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 104740778

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl 3-aminopyridine-2-carboxylate?
The IUPAC name of 2-ethoxyethyl 3-aminopyridine-2-carboxylate (CID 115867339) is 2-ethoxyethyl 3-aminopyridine-2-carboxylate.
What is the SMILES notation for 2-ethoxyethyl 3-aminopyridine-2-carboxylate?
The canonical SMILES for 2-ethoxyethyl 3-aminopyridine-2-carboxylate is CCOCCOC(=O)c1ncccc1N.
What is the InChIKey of 2-ethoxyethyl 3-aminopyridine-2-carboxylate?
The InChIKey is AGDXOZAMSBUOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-2-14-6-7-15-10(13)9-8(11)4-3-5-12-9/h3-5H,2,6-7,11H2,1H3.
What are the key properties of 2-ethoxyethyl 3-aminopyridine-2-carboxylate?
2-ethoxyethyl 3-aminopyridine-2-carboxylate has a molecular weight of 210.23 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 3-aminopyridine-2-carboxylate is sourced from PubChem (CID 115867339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).