5-(3-iodophenyl)-2H-tetrazole

C7H5IN4 — CID 44589533

IUPAC5-(3-iodophenyl)-2H-tetrazole
SMILESIc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C7H5IN4/c8-6-3-1-2-5(4-6)7-9-11-12-10-7/h1-4H,(H,9,10,11,12)
InChIKeyLDEPEQBYFPLWNZ-UHFFFAOYSA-N
MW272.05 g/mol
LogP1.47
Rot. Bonds1

About 5-(3-iodophenyl)-2H-tetrazole

5-(3-iodophenyl)-2H-tetrazole (PubChem CID 44589533) has the molecular formula C7H5IN4 and a molecular weight of 272.05 g/mol. Its IUPAC name is 5-(3-iodophenyl)-2H-tetrazole.

Molecular Properties

Compound Name5-(3-iodophenyl)-2H-tetrazole
PubChem CID44589533
Molecular FormulaC7H5IN4
Molecular Weight272.05 g/mol
Exact Mass271.96
IUPAC Name5-(3-iodophenyl)-2H-tetrazole
SMILESIc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C7H5IN4/c8-6-3-1-2-5(4-6)7-9-11-12-10-7/h1-4H,(H,9,10,11,12)
InChIKeyLDEPEQBYFPLWNZ-UHFFFAOYSA-N
XLogP1.47
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.05
LogP ≤ 51.47
H-Bond Donors ≤ 51
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 5-(3-iodophenyl)-2H-tetrazole?
The IUPAC name of 5-(3-iodophenyl)-2H-tetrazole (CID 44589533) is 5-(3-iodophenyl)-2H-tetrazole.
What is the SMILES notation for 5-(3-iodophenyl)-2H-tetrazole?
The canonical SMILES for 5-(3-iodophenyl)-2H-tetrazole is Ic1cccc(-c2nn[nH]n2)c1.
What is the InChIKey of 5-(3-iodophenyl)-2H-tetrazole?
The InChIKey is LDEPEQBYFPLWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5IN4/c8-6-3-1-2-5(4-6)7-9-11-12-10-7/h1-4H,(H,9,10,11,12).
What are the key properties of 5-(3-iodophenyl)-2H-tetrazole?
5-(3-iodophenyl)-2H-tetrazole has a molecular weight of 272.05 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-iodophenyl)-2H-tetrazole is sourced from PubChem (CID 44589533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).