2-(3-iodophenyl)tetrazole

C7H5IN4 — CID 141120715

IUPAC2-(3-iodophenyl)tetrazole
SMILESIc1cccc(-n2ncnn2)c1
InChIInChI=1S/C7H5IN4/c8-6-2-1-3-7(4-6)12-10-5-9-11-12/h1-5H
InChIKeyWFFOLOBNECFBEQ-UHFFFAOYSA-N
MW272.05 g/mol
LogP1.27
Rot. Bonds1

About 2-(3-iodophenyl)tetrazole

2-(3-iodophenyl)tetrazole (PubChem CID 141120715) has the molecular formula C7H5IN4 and a molecular weight of 272.05 g/mol. Its IUPAC name is 2-(3-iodophenyl)tetrazole.

Molecular Properties

Compound Name2-(3-iodophenyl)tetrazole
PubChem CID141120715
Molecular FormulaC7H5IN4
Molecular Weight272.05 g/mol
Exact Mass271.96
IUPAC Name2-(3-iodophenyl)tetrazole
SMILESIc1cccc(-n2ncnn2)c1
InChIInChI=1S/C7H5IN4/c8-6-2-1-3-7(4-6)12-10-5-9-11-12/h1-5H
InChIKeyWFFOLOBNECFBEQ-UHFFFAOYSA-N
XLogP1.27
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.05
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(3-iodophenyl)tetrazole?
The IUPAC name of 2-(3-iodophenyl)tetrazole (CID 141120715) is 2-(3-iodophenyl)tetrazole.
What is the SMILES notation for 2-(3-iodophenyl)tetrazole?
The canonical SMILES for 2-(3-iodophenyl)tetrazole is Ic1cccc(-n2ncnn2)c1.
What is the InChIKey of 2-(3-iodophenyl)tetrazole?
The InChIKey is WFFOLOBNECFBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5IN4/c8-6-2-1-3-7(4-6)12-10-5-9-11-12/h1-5H.
What are the key properties of 2-(3-iodophenyl)tetrazole?
2-(3-iodophenyl)tetrazole has a molecular weight of 272.05 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-iodophenyl)tetrazole is sourced from PubChem (CID 141120715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).