6-ethenyl-3-iodo-2H-indazole

C9H7IN2 — CID 166129183

IUPAC6-ethenyl-3-iodo-2H-indazole
SMILESC=Cc1ccc2c(I)[nH]nc2c1
InChIInChI=1S/C9H7IN2/c1-2-6-3-4-7-8(5-6)11-12-9(7)10/h2-5H,1H2,(H,11,12)
InChIKeyOQBUWVZVEPNQBT-UHFFFAOYSA-N
MW270.07 g/mol
LogP2.81
Rot. Bonds1

About 6-ethenyl-3-iodo-2H-indazole

6-ethenyl-3-iodo-2H-indazole (PubChem CID 166129183) has the molecular formula C9H7IN2 and a molecular weight of 270.07 g/mol. Its IUPAC name is 6-ethenyl-3-iodo-2H-indazole.

Molecular Properties

Compound Name6-ethenyl-3-iodo-2H-indazole
PubChem CID166129183
Molecular FormulaC9H7IN2
Molecular Weight270.07 g/mol
Exact Mass269.97
IUPAC Name6-ethenyl-3-iodo-2H-indazole
SMILESC=Cc1ccc2c(I)[nH]nc2c1
InChIInChI=1S/C9H7IN2/c1-2-6-3-4-7-8(5-6)11-12-9(7)10/h2-5H,1H2,(H,11,12)
InChIKeyOQBUWVZVEPNQBT-UHFFFAOYSA-N
XLogP2.81
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.07
LogP ≤ 52.81
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 6-ethenyl-3-iodo-2H-indazole?
The IUPAC name of 6-ethenyl-3-iodo-2H-indazole (CID 166129183) is 6-ethenyl-3-iodo-2H-indazole.
What is the SMILES notation for 6-ethenyl-3-iodo-2H-indazole?
The canonical SMILES for 6-ethenyl-3-iodo-2H-indazole is C=Cc1ccc2c(I)[nH]nc2c1.
What is the InChIKey of 6-ethenyl-3-iodo-2H-indazole?
The InChIKey is OQBUWVZVEPNQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7IN2/c1-2-6-3-4-7-8(5-6)11-12-9(7)10/h2-5H,1H2,(H,11,12).
What are the key properties of 6-ethenyl-3-iodo-2H-indazole?
6-ethenyl-3-iodo-2H-indazole has a molecular weight of 270.07 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-3-iodo-2H-indazole is sourced from PubChem (CID 166129183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).