4-(4-chloro-2-iodophenyl)-1,2,4-triazole

C8H5ClIN3 — CID 66744706

IUPAC4-(4-chloro-2-iodophenyl)-1,2,4-triazole
SMILESClc1ccc(-n2cnnc2)c(I)c1
InChIInChI=1S/C8H5ClIN3/c9-6-1-2-8(7(10)3-6)13-4-11-12-5-13/h1-5H
InChIKeyCAZBJIIXWHOQIQ-UHFFFAOYSA-N
MW305.51 g/mol
LogP2.53
Rot. Bonds1

About 4-(4-chloro-2-iodophenyl)-1,2,4-triazole

4-(4-chloro-2-iodophenyl)-1,2,4-triazole (PubChem CID 66744706) has the molecular formula C8H5ClIN3 and a molecular weight of 305.51 g/mol. Its IUPAC name is 4-(4-chloro-2-iodophenyl)-1,2,4-triazole.

Molecular Properties

Compound Name4-(4-chloro-2-iodophenyl)-1,2,4-triazole
PubChem CID66744706
Molecular FormulaC8H5ClIN3
Molecular Weight305.51 g/mol
Exact Mass304.92
IUPAC Name4-(4-chloro-2-iodophenyl)-1,2,4-triazole
SMILESClc1ccc(-n2cnnc2)c(I)c1
InChIInChI=1S/C8H5ClIN3/c9-6-1-2-8(7(10)3-6)13-4-11-12-5-13/h1-5H
InChIKeyCAZBJIIXWHOQIQ-UHFFFAOYSA-N
XLogP2.53
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.51
LogP ≤ 52.53
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 4-(4-chloro-2-iodophenyl)-1,2,4-triazole?
The IUPAC name of 4-(4-chloro-2-iodophenyl)-1,2,4-triazole (CID 66744706) is 4-(4-chloro-2-iodophenyl)-1,2,4-triazole.
What is the SMILES notation for 4-(4-chloro-2-iodophenyl)-1,2,4-triazole?
The canonical SMILES for 4-(4-chloro-2-iodophenyl)-1,2,4-triazole is Clc1ccc(-n2cnnc2)c(I)c1.
What is the InChIKey of 4-(4-chloro-2-iodophenyl)-1,2,4-triazole?
The InChIKey is CAZBJIIXWHOQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClIN3/c9-6-1-2-8(7(10)3-6)13-4-11-12-5-13/h1-5H.
What are the key properties of 4-(4-chloro-2-iodophenyl)-1,2,4-triazole?
4-(4-chloro-2-iodophenyl)-1,2,4-triazole has a molecular weight of 305.51 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-iodophenyl)-1,2,4-triazole is sourced from PubChem (CID 66744706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).