3-azidopyridine

C5H4N4 — CID 12066687

IUPAC3-azidopyridine
SMILES[N-]=[N+]=Nc1cccnc1
InChIInChI=1S/C5H4N4/c6-9-8-5-2-1-3-7-4-5/h1-4H
InChIKeyJIAJBAZUBPTCAO-UHFFFAOYSA-N
MW120.11 g/mol
LogP2.02
Rot. Bonds1

About 3-azidopyridine

3-azidopyridine (PubChem CID 12066687) has the molecular formula C5H4N4 and a molecular weight of 120.11 g/mol. Its IUPAC name is 3-azidopyridine.

Molecular Properties

Compound Name3-azidopyridine
PubChem CID12066687
Molecular FormulaC5H4N4
Molecular Weight120.11 g/mol
Exact Mass120.04
IUPAC Name3-azidopyridine
SMILES[N-]=[N+]=Nc1cccnc1
InChIInChI=1S/C5H4N4/c6-9-8-5-2-1-3-7-4-5/h1-4H
InChIKeyJIAJBAZUBPTCAO-UHFFFAOYSA-N
XLogP2.02
TPSA61.65 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.11
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3-azidopyridine?
The IUPAC name of 3-azidopyridine (CID 12066687) is 3-azidopyridine.
What is the SMILES notation for 3-azidopyridine?
The canonical SMILES for 3-azidopyridine is [N-]=[N+]=Nc1cccnc1.
What is the InChIKey of 3-azidopyridine?
The InChIKey is JIAJBAZUBPTCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4/c6-9-8-5-2-1-3-7-4-5/h1-4H.
What are the key properties of 3-azidopyridine?
3-azidopyridine has a molecular weight of 120.11 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azidopyridine is sourced from PubChem (CID 12066687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).