ethyl 2-(4-azidophenyl)acetate

C10H11N3O2 — CID 10703417

IUPACethyl 2-(4-azidophenyl)acetate
SMILESCCOC(=O)Cc1ccc(N=[N+]=[N-])cc1
InChIInChI=1S/C10H11N3O2/c1-2-15-10(14)7-8-3-5-9(6-4-8)12-13-11/h3-6H,2,7H2,1H3
InChIKeyWEAJKSGHOMQNGT-UHFFFAOYSA-N
MW205.22 g/mol
LogP2.73
Rot. Bonds4

About ethyl 2-(4-azidophenyl)acetate

ethyl 2-(4-azidophenyl)acetate (PubChem CID 10703417) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is ethyl 2-(4-azidophenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-azidophenyl)acetate
PubChem CID10703417
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Nameethyl 2-(4-azidophenyl)acetate
SMILESCCOC(=O)Cc1ccc(N=[N+]=[N-])cc1
InChIInChI=1S/C10H11N3O2/c1-2-15-10(14)7-8-3-5-9(6-4-8)12-13-11/h3-6H,2,7H2,1H3
InChIKeyWEAJKSGHOMQNGT-UHFFFAOYSA-N
XLogP2.73
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-azidophenyl)acetate?
The IUPAC name of ethyl 2-(4-azidophenyl)acetate (CID 10703417) is ethyl 2-(4-azidophenyl)acetate.
What is the SMILES notation for ethyl 2-(4-azidophenyl)acetate?
The canonical SMILES for ethyl 2-(4-azidophenyl)acetate is CCOC(=O)Cc1ccc(N=[N+]=[N-])cc1.
What is the InChIKey of ethyl 2-(4-azidophenyl)acetate?
The InChIKey is WEAJKSGHOMQNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-2-15-10(14)7-8-3-5-9(6-4-8)12-13-11/h3-6H,2,7H2,1H3.
What are the key properties of ethyl 2-(4-azidophenyl)acetate?
ethyl 2-(4-azidophenyl)acetate has a molecular weight of 205.22 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-azidophenyl)acetate is sourced from PubChem (CID 10703417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).