2-bromo-4-iodotriazole

C2HBrIN3 — CID 141305588

IUPAC2-bromo-4-iodotriazole
SMILESBrn1ncc(I)n1
InChIInChI=1S/C2HBrIN3/c3-7-5-1-2(4)6-7/h1H
InChIKeyIJIICZOZFLXLLJ-UHFFFAOYSA-N
MW273.86 g/mol
LogP1.04
Rot. Bonds

About 2-bromo-4-iodotriazole

2-bromo-4-iodotriazole (PubChem CID 141305588) has the molecular formula C2HBrIN3 and a molecular weight of 273.86 g/mol. Its IUPAC name is 2-bromo-4-iodotriazole.

Molecular Properties

Compound Name2-bromo-4-iodotriazole
PubChem CID141305588
Molecular FormulaC2HBrIN3
Molecular Weight273.86 g/mol
Exact Mass272.84
IUPAC Name2-bromo-4-iodotriazole
SMILESBrn1ncc(I)n1
InChIInChI=1S/C2HBrIN3/c3-7-5-1-2(4)6-7/h1H
InChIKeyIJIICZOZFLXLLJ-UHFFFAOYSA-N
XLogP1.04
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.86
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-iodotriazole?
The IUPAC name of 2-bromo-4-iodotriazole (CID 141305588) is 2-bromo-4-iodotriazole.
What is the SMILES notation for 2-bromo-4-iodotriazole?
The canonical SMILES for 2-bromo-4-iodotriazole is Brn1ncc(I)n1.
What is the InChIKey of 2-bromo-4-iodotriazole?
The InChIKey is IJIICZOZFLXLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HBrIN3/c3-7-5-1-2(4)6-7/h1H.
What are the key properties of 2-bromo-4-iodotriazole?
2-bromo-4-iodotriazole has a molecular weight of 273.86 g/mol, XLogP of 1.04, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-iodotriazole is sourced from PubChem (CID 141305588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).