2-azido-6-ethoxypyridine

C7H8N4O — CID 80583737

IUPAC2-azido-6-ethoxypyridine
SMILESCCOc1cccc(N=[N+]=[N-])n1
InChIInChI=1S/C7H8N4O/c1-2-12-7-5-3-4-6(9-7)10-11-8/h3-5H,2H2,1H3
InChIKeyOQSMNQAQNXSGSG-UHFFFAOYSA-N
MW164.17 g/mol
LogP2.42
Rot. Bonds3

About 2-azido-6-ethoxypyridine

2-azido-6-ethoxypyridine (PubChem CID 80583737) has the molecular formula C7H8N4O and a molecular weight of 164.17 g/mol. Its IUPAC name is 2-azido-6-ethoxypyridine.

Molecular Properties

Compound Name2-azido-6-ethoxypyridine
PubChem CID80583737
Molecular FormulaC7H8N4O
Molecular Weight164.17 g/mol
Exact Mass164.07
IUPAC Name2-azido-6-ethoxypyridine
SMILESCCOc1cccc(N=[N+]=[N-])n1
InChIInChI=1S/C7H8N4O/c1-2-12-7-5-3-4-6(9-7)10-11-8/h3-5H,2H2,1H3
InChIKeyOQSMNQAQNXSGSG-UHFFFAOYSA-N
XLogP2.42
TPSA70.88 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 52.42
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 2-azido-6-ethoxypyridine?
The IUPAC name of 2-azido-6-ethoxypyridine (CID 80583737) is 2-azido-6-ethoxypyridine.
What is the SMILES notation for 2-azido-6-ethoxypyridine?
The canonical SMILES for 2-azido-6-ethoxypyridine is CCOc1cccc(N=[N+]=[N-])n1.
What is the InChIKey of 2-azido-6-ethoxypyridine?
The InChIKey is OQSMNQAQNXSGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O/c1-2-12-7-5-3-4-6(9-7)10-11-8/h3-5H,2H2,1H3.
What are the key properties of 2-azido-6-ethoxypyridine?
2-azido-6-ethoxypyridine has a molecular weight of 164.17 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-6-ethoxypyridine is sourced from PubChem (CID 80583737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).