2-ethoxyethyl 2-azidobenzoate

C11H13N3O3 — CID 13464506

IUPAC2-ethoxyethyl 2-azidobenzoate
SMILESCCOCCOC(=O)c1ccccc1N=[N+]=[N-]
InChIInChI=1S/C11H13N3O3/c1-2-16-7-8-17-11(15)9-5-3-4-6-10(9)13-14-12/h3-6H,2,7-8H2,1H3
InChIKeyZNCKFJZNPDXAFF-UHFFFAOYSA-N
MW235.24 g/mol
LogP2.82
Rot. Bonds6

About 2-ethoxyethyl 2-azidobenzoate

2-ethoxyethyl 2-azidobenzoate (PubChem CID 13464506) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-ethoxyethyl 2-azidobenzoate.

Molecular Properties

Compound Name2-ethoxyethyl 2-azidobenzoate
PubChem CID13464506
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name2-ethoxyethyl 2-azidobenzoate
SMILESCCOCCOC(=O)c1ccccc1N=[N+]=[N-]
InChIInChI=1S/C11H13N3O3/c1-2-16-7-8-17-11(15)9-5-3-4-6-10(9)13-14-12/h3-6H,2,7-8H2,1H3
InChIKeyZNCKFJZNPDXAFF-UHFFFAOYSA-N
XLogP2.82
TPSA84.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

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ethyl 5-azido-2,4-difluorobenzoate
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1-O-[2-(2-hydroxyethoxy)ethyl] 2-O-[2-(2-methoxyethoxy)ethyl] benzene-1,2-dicarboxylate
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Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl 2-azidobenzoate?
The IUPAC name of 2-ethoxyethyl 2-azidobenzoate (CID 13464506) is 2-ethoxyethyl 2-azidobenzoate.
What is the SMILES notation for 2-ethoxyethyl 2-azidobenzoate?
The canonical SMILES for 2-ethoxyethyl 2-azidobenzoate is CCOCCOC(=O)c1ccccc1N=[N+]=[N-].
What is the InChIKey of 2-ethoxyethyl 2-azidobenzoate?
The InChIKey is ZNCKFJZNPDXAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-2-16-7-8-17-11(15)9-5-3-4-6-10(9)13-14-12/h3-6H,2,7-8H2,1H3.
What are the key properties of 2-ethoxyethyl 2-azidobenzoate?
2-ethoxyethyl 2-azidobenzoate has a molecular weight of 235.24 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 2-azidobenzoate is sourced from PubChem (CID 13464506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).