2-(4-iodophenyl)indazole

C13H9IN2 — CID 3067344

IUPAC2-(4-iodophenyl)indazole
SMILESIc1ccc(-n2cc3ccccc3n2)cc1
InChIInChI=1S/C13H9IN2/c14-11-5-7-12(8-6-11)16-9-10-3-1-2-4-13(10)15-16/h1-9H
InChIKeyOLPARULXFXIQHB-UHFFFAOYSA-N
MW320.13 g/mol
LogP3.63
Rot. Bonds1

About 2-(4-iodophenyl)indazole

2-(4-iodophenyl)indazole (PubChem CID 3067344) has the molecular formula C13H9IN2 and a molecular weight of 320.13 g/mol. Its IUPAC name is 2-(4-iodophenyl)indazole.

Molecular Properties

Compound Name2-(4-iodophenyl)indazole
PubChem CID3067344
Molecular FormulaC13H9IN2
Molecular Weight320.13 g/mol
Exact Mass319.98
IUPAC Name2-(4-iodophenyl)indazole
SMILESIc1ccc(-n2cc3ccccc3n2)cc1
InChIInChI=1S/C13H9IN2/c14-11-5-7-12(8-6-11)16-9-10-3-1-2-4-13(10)15-16/h1-9H
InChIKeyOLPARULXFXIQHB-UHFFFAOYSA-N
XLogP3.63
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.13
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(4-iodophenyl)indazole?
The IUPAC name of 2-(4-iodophenyl)indazole (CID 3067344) is 2-(4-iodophenyl)indazole.
What is the SMILES notation for 2-(4-iodophenyl)indazole?
The canonical SMILES for 2-(4-iodophenyl)indazole is Ic1ccc(-n2cc3ccccc3n2)cc1.
What is the InChIKey of 2-(4-iodophenyl)indazole?
The InChIKey is OLPARULXFXIQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9IN2/c14-11-5-7-12(8-6-11)16-9-10-3-1-2-4-13(10)15-16/h1-9H.
What are the key properties of 2-(4-iodophenyl)indazole?
2-(4-iodophenyl)indazole has a molecular weight of 320.13 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenyl)indazole is sourced from PubChem (CID 3067344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).