2-(azidomethyl)-5-bromopyridine

C6H5BrN4 — CID 90266378

IUPAC2-(azidomethyl)-5-bromopyridine
SMILES[N-]=[N+]=NCc1ccc(Br)cn1
InChIInChI=1S/C6H5BrN4/c7-5-1-2-6(9-3-5)4-10-11-8/h1-3H,4H2
InChIKeyUBPZXDWUCCVOQM-UHFFFAOYSA-N
MW213.04 g/mol
LogP2.65
Rot. Bonds2

About 2-(azidomethyl)-5-bromopyridine

2-(azidomethyl)-5-bromopyridine (PubChem CID 90266378) has the molecular formula C6H5BrN4 and a molecular weight of 213.04 g/mol. Its IUPAC name is 2-(azidomethyl)-5-bromopyridine.

Molecular Properties

Compound Name2-(azidomethyl)-5-bromopyridine
PubChem CID90266378
Molecular FormulaC6H5BrN4
Molecular Weight213.04 g/mol
Exact Mass211.97
IUPAC Name2-(azidomethyl)-5-bromopyridine
SMILES[N-]=[N+]=NCc1ccc(Br)cn1
InChIInChI=1S/C6H5BrN4/c7-5-1-2-6(9-3-5)4-10-11-8/h1-3H,4H2
InChIKeyUBPZXDWUCCVOQM-UHFFFAOYSA-N
XLogP2.65
TPSA61.65 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.04
LogP ≤ 52.65
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 2-(azidomethyl)-5-bromopyridine?
The IUPAC name of 2-(azidomethyl)-5-bromopyridine (CID 90266378) is 2-(azidomethyl)-5-bromopyridine.
What is the SMILES notation for 2-(azidomethyl)-5-bromopyridine?
The canonical SMILES for 2-(azidomethyl)-5-bromopyridine is [N-]=[N+]=NCc1ccc(Br)cn1.
What is the InChIKey of 2-(azidomethyl)-5-bromopyridine?
The InChIKey is UBPZXDWUCCVOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrN4/c7-5-1-2-6(9-3-5)4-10-11-8/h1-3H,4H2.
What are the key properties of 2-(azidomethyl)-5-bromopyridine?
2-(azidomethyl)-5-bromopyridine has a molecular weight of 213.04 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azidomethyl)-5-bromopyridine is sourced from PubChem (CID 90266378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).