3-azido-2-bromo-5-fluoropyridine

C5H2BrFN4 — CID 150973100

IUPAC3-azido-2-bromo-5-fluoropyridine
SMILES[N-]=[N+]=Nc1cc(F)cnc1Br
InChIInChI=1S/C5H2BrFN4/c6-5-4(10-11-8)1-3(7)2-9-5/h1-2H
InChIKeyLONKFFPHTHRQGH-UHFFFAOYSA-N
MW217.00 g/mol
LogP2.92
Rot. Bonds1

About 3-azido-2-bromo-5-fluoropyridine

3-azido-2-bromo-5-fluoropyridine (PubChem CID 150973100) has the molecular formula C5H2BrFN4 and a molecular weight of 217.00 g/mol. Its IUPAC name is 3-azido-2-bromo-5-fluoropyridine.

Molecular Properties

Compound Name3-azido-2-bromo-5-fluoropyridine
PubChem CID150973100
Molecular FormulaC5H2BrFN4
Molecular Weight217.00 g/mol
Exact Mass215.94
IUPAC Name3-azido-2-bromo-5-fluoropyridine
SMILES[N-]=[N+]=Nc1cc(F)cnc1Br
InChIInChI=1S/C5H2BrFN4/c6-5-4(10-11-8)1-3(7)2-9-5/h1-2H
InChIKeyLONKFFPHTHRQGH-UHFFFAOYSA-N
XLogP2.92
TPSA61.65 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.00
LogP ≤ 52.92
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'}

Analyze 3-azido-2-bromo-5-fluoropyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-azido-2-bromo-5-fluoropyridine?
The IUPAC name of 3-azido-2-bromo-5-fluoropyridine (CID 150973100) is 3-azido-2-bromo-5-fluoropyridine.
What is the SMILES notation for 3-azido-2-bromo-5-fluoropyridine?
The canonical SMILES for 3-azido-2-bromo-5-fluoropyridine is [N-]=[N+]=Nc1cc(F)cnc1Br.
What is the InChIKey of 3-azido-2-bromo-5-fluoropyridine?
The InChIKey is LONKFFPHTHRQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2BrFN4/c6-5-4(10-11-8)1-3(7)2-9-5/h1-2H.
What are the key properties of 3-azido-2-bromo-5-fluoropyridine?
3-azido-2-bromo-5-fluoropyridine has a molecular weight of 217.00 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-2-bromo-5-fluoropyridine is sourced from PubChem (CID 150973100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).