3-pyridin-3-ylbenzoyl azide

C12H8N4O — CID 89407530

IUPAC3-pyridin-3-ylbenzoyl azide
SMILES[N-]=[N+]=NC(=O)c1cccc(-c2cccnc2)c1
InChIInChI=1S/C12H8N4O/c13-16-15-12(17)10-4-1-3-9(7-10)11-5-2-6-14-8-11/h1-8H
InChIKeyIRZPQGZUSNMMAM-UHFFFAOYSA-N
MW224.22 g/mol
LogP3.20
Rot. Bonds2

About 3-pyridin-3-ylbenzoyl azide

3-pyridin-3-ylbenzoyl azide (PubChem CID 89407530) has the molecular formula C12H8N4O and a molecular weight of 224.22 g/mol. Its IUPAC name is 3-pyridin-3-ylbenzoyl azide.

Molecular Properties

Compound Name3-pyridin-3-ylbenzoyl azide
PubChem CID89407530
Molecular FormulaC12H8N4O
Molecular Weight224.22 g/mol
Exact Mass224.07
IUPAC Name3-pyridin-3-ylbenzoyl azide
SMILES[N-]=[N+]=NC(=O)c1cccc(-c2cccnc2)c1
InChIInChI=1S/C12H8N4O/c13-16-15-12(17)10-4-1-3-9(7-10)11-5-2-6-14-8-11/h1-8H
InChIKeyIRZPQGZUSNMMAM-UHFFFAOYSA-N
XLogP3.20
TPSA78.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 53.20
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-pyridin-3-ylbenzoyl azide?
The IUPAC name of 3-pyridin-3-ylbenzoyl azide (CID 89407530) is 3-pyridin-3-ylbenzoyl azide.
What is the SMILES notation for 3-pyridin-3-ylbenzoyl azide?
The canonical SMILES for 3-pyridin-3-ylbenzoyl azide is [N-]=[N+]=NC(=O)c1cccc(-c2cccnc2)c1.
What is the InChIKey of 3-pyridin-3-ylbenzoyl azide?
The InChIKey is IRZPQGZUSNMMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O/c13-16-15-12(17)10-4-1-3-9(7-10)11-5-2-6-14-8-11/h1-8H.
What are the key properties of 3-pyridin-3-ylbenzoyl azide?
3-pyridin-3-ylbenzoyl azide has a molecular weight of 224.22 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-ylbenzoyl azide is sourced from PubChem (CID 89407530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).