2-(2-iodophenyl)triazole

C8H6IN3 — CID 72711580

IUPAC2-(2-iodophenyl)triazole
SMILESIc1ccccc1-n1nccn1
InChIInChI=1S/C8H6IN3/c9-7-3-1-2-4-8(7)12-10-5-6-11-12/h1-6H
InChIKeyQRIZHWOABAVVEB-UHFFFAOYSA-N
MW271.06 g/mol
LogP1.87
Rot. Bonds1

About 2-(2-iodophenyl)triazole

2-(2-iodophenyl)triazole (PubChem CID 72711580) has the molecular formula C8H6IN3 and a molecular weight of 271.06 g/mol. Its IUPAC name is 2-(2-iodophenyl)triazole.

Molecular Properties

Compound Name2-(2-iodophenyl)triazole
PubChem CID72711580
Molecular FormulaC8H6IN3
Molecular Weight271.06 g/mol
Exact Mass270.96
IUPAC Name2-(2-iodophenyl)triazole
SMILESIc1ccccc1-n1nccn1
InChIInChI=1S/C8H6IN3/c9-7-3-1-2-4-8(7)12-10-5-6-11-12/h1-6H
InChIKeyQRIZHWOABAVVEB-UHFFFAOYSA-N
XLogP1.87
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.06
LogP ≤ 51.87
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-(2-iodophenyl)triazole?
The IUPAC name of 2-(2-iodophenyl)triazole (CID 72711580) is 2-(2-iodophenyl)triazole.
What is the SMILES notation for 2-(2-iodophenyl)triazole?
The canonical SMILES for 2-(2-iodophenyl)triazole is Ic1ccccc1-n1nccn1.
What is the InChIKey of 2-(2-iodophenyl)triazole?
The InChIKey is QRIZHWOABAVVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6IN3/c9-7-3-1-2-4-8(7)12-10-5-6-11-12/h1-6H.
What are the key properties of 2-(2-iodophenyl)triazole?
2-(2-iodophenyl)triazole has a molecular weight of 271.06 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iodophenyl)triazole is sourced from PubChem (CID 72711580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).