sodium;2-(azidomethyl)-6-bromopyridine;azide

C6H5BrN7Na — CID 159150392

IUPACsodium;2-(azidomethyl)-6-bromopyridine;azide
SMILES[N-]=[N+]=NCc1cccc(Br)n1.[N-]=[N+]=[N-].[Na+]
InChIInChI=1S/C6H5BrN4.N3.Na/c7-6-3-1-2-5(10-6)4-9-11-8;1-3-2;/h1-3H,4H2;;/q;-1;+1
InChIKeyKJEZNNXIOLKWNA-UHFFFAOYSA-N
MW278.05 g/mol
LogP0.52
Rot. Bonds2

About sodium;2-(azidomethyl)-6-bromopyridine;azide

sodium;2-(azidomethyl)-6-bromopyridine;azide (PubChem CID 159150392) has the molecular formula C6H5BrN7Na and a molecular weight of 278.05 g/mol. Its IUPAC name is sodium;2-(azidomethyl)-6-bromopyridine;azide.

Molecular Properties

Compound Namesodium;2-(azidomethyl)-6-bromopyridine;azide
PubChem CID159150392
Molecular FormulaC6H5BrN7Na
Molecular Weight278.05 g/mol
Exact Mass276.97
IUPAC Namesodium;2-(azidomethyl)-6-bromopyridine;azide
SMILES[N-]=[N+]=NCc1cccc(Br)n1.[N-]=[N+]=[N-].[Na+]
InChIInChI=1S/C6H5BrN4.N3.Na/c7-6-3-1-2-5(10-6)4-9-11-8;1-3-2;/h1-3H,4H2;;/q;-1;+1
InChIKeyKJEZNNXIOLKWNA-UHFFFAOYSA-N
XLogP0.52
TPSA120.35 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.05
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', '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 sodium;2-(azidomethyl)-6-bromopyridine;azide?
The IUPAC name of sodium;2-(azidomethyl)-6-bromopyridine;azide (CID 159150392) is sodium;2-(azidomethyl)-6-bromopyridine;azide.
What is the SMILES notation for sodium;2-(azidomethyl)-6-bromopyridine;azide?
The canonical SMILES for sodium;2-(azidomethyl)-6-bromopyridine;azide is [N-]=[N+]=NCc1cccc(Br)n1.[N-]=[N+]=[N-].[Na+].
What is the InChIKey of sodium;2-(azidomethyl)-6-bromopyridine;azide?
The InChIKey is KJEZNNXIOLKWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrN4.N3.Na/c7-6-3-1-2-5(10-6)4-9-11-8;1-3-2;/h1-3H,4H2;;/q;-1;+1.
What are the key properties of sodium;2-(azidomethyl)-6-bromopyridine;azide?
sodium;2-(azidomethyl)-6-bromopyridine;azide has a molecular weight of 278.05 g/mol, XLogP of 0.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-(azidomethyl)-6-bromopyridine;azide is sourced from PubChem (CID 159150392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).