1,1'-biphenyl azide

C12H10N3- — CID 18790861

IUPAC1,1'-biphenyl azide
SMILES[N-]=[N+]=[N-].c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.N3/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-3-2/h1-10H;/q;-1
InChIKeyHSJGPNDLNFCSRG-UHFFFAOYSA-N
MW196.23 g/mol
LogP4.22
Rot. Bonds1

About 1,1'-biphenyl azide

1,1'-biphenyl azide (PubChem CID 18790861) has the molecular formula C12H10N3- and a molecular weight of 196.23 g/mol. Its IUPAC name is 1,1'-biphenyl azide.

Molecular Properties

Compound Name1,1'-biphenyl azide
PubChem CID18790861
Molecular FormulaC12H10N3-
Molecular Weight196.23 g/mol
Exact Mass196.09
IUPAC Name1,1'-biphenyl azide
SMILES[N-]=[N+]=[N-].c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.N3/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-3-2/h1-10H;/q;-1
InChIKeyHSJGPNDLNFCSRG-UHFFFAOYSA-N
XLogP4.22
TPSA58.70 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 1,1'-biphenyl azide?
The IUPAC name of 1,1'-biphenyl azide (CID 18790861) is 1,1'-biphenyl azide.
What is the SMILES notation for 1,1'-biphenyl azide?
The canonical SMILES for 1,1'-biphenyl azide is [N-]=[N+]=[N-].c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl azide?
The InChIKey is HSJGPNDLNFCSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.N3/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-3-2/h1-10H;/q;-1.
What are the key properties of 1,1'-biphenyl azide?
1,1'-biphenyl azide has a molecular weight of 196.23 g/mol, XLogP of 4.22, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl azide is sourced from PubChem (CID 18790861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).