3,5-diiodo-2H-indazole

C7H4I2N2 — CID 22352381

IUPAC3,5-diiodo-2H-indazole
SMILESIc1ccc2n[nH]c(I)c2c1
InChIInChI=1S/C7H4I2N2/c8-4-1-2-6-5(3-4)7(9)11-10-6/h1-3H,(H,10,11)
InChIKeyYAWVPJHNPTVUBN-UHFFFAOYSA-N
MW369.93 g/mol
LogP2.77
Rot. Bonds

About 3,5-diiodo-2H-indazole

3,5-diiodo-2H-indazole (PubChem CID 22352381) has the molecular formula C7H4I2N2 and a molecular weight of 369.93 g/mol. Its IUPAC name is 3,5-diiodo-2H-indazole.

Molecular Properties

Compound Name3,5-diiodo-2H-indazole
PubChem CID22352381
Molecular FormulaC7H4I2N2
Molecular Weight369.93 g/mol
Exact Mass369.85
IUPAC Name3,5-diiodo-2H-indazole
SMILESIc1ccc2n[nH]c(I)c2c1
InChIInChI=1S/C7H4I2N2/c8-4-1-2-6-5(3-4)7(9)11-10-6/h1-3H,(H,10,11)
InChIKeyYAWVPJHNPTVUBN-UHFFFAOYSA-N
XLogP2.77
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.93
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-diiodo-2H-indazole?
The IUPAC name of 3,5-diiodo-2H-indazole (CID 22352381) is 3,5-diiodo-2H-indazole.
What is the SMILES notation for 3,5-diiodo-2H-indazole?
The canonical SMILES for 3,5-diiodo-2H-indazole is Ic1ccc2n[nH]c(I)c2c1.
What is the InChIKey of 3,5-diiodo-2H-indazole?
The InChIKey is YAWVPJHNPTVUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4I2N2/c8-4-1-2-6-5(3-4)7(9)11-10-6/h1-3H,(H,10,11).
What are the key properties of 3,5-diiodo-2H-indazole?
3,5-diiodo-2H-indazole has a molecular weight of 369.93 g/mol, XLogP of 2.77, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diiodo-2H-indazole is sourced from PubChem (CID 22352381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).