2-(4-iodophenyl)-3-methoxyindazole

C14H11IN2O — CID 71729147

IUPAC2-(4-iodophenyl)-3-methoxyindazole
SMILESCOc1c2ccccc2nn1-c1ccc(I)cc1
InChIInChI=1S/C14H11IN2O/c1-18-14-12-4-2-3-5-13(12)16-17(14)11-8-6-10(15)7-9-11/h2-9H,1H3
InChIKeyWVWBQOTUXBDFGU-UHFFFAOYSA-N
MW350.16 g/mol
LogP3.64
Rot. Bonds2

About 2-(4-iodophenyl)-3-methoxyindazole

2-(4-iodophenyl)-3-methoxyindazole (PubChem CID 71729147) has the molecular formula C14H11IN2O and a molecular weight of 350.16 g/mol. Its IUPAC name is 2-(4-iodophenyl)-3-methoxyindazole.

Molecular Properties

Compound Name2-(4-iodophenyl)-3-methoxyindazole
PubChem CID71729147
Molecular FormulaC14H11IN2O
Molecular Weight350.16 g/mol
Exact Mass349.99
IUPAC Name2-(4-iodophenyl)-3-methoxyindazole
SMILESCOc1c2ccccc2nn1-c1ccc(I)cc1
InChIInChI=1S/C14H11IN2O/c1-18-14-12-4-2-3-5-13(12)16-17(14)11-8-6-10(15)7-9-11/h2-9H,1H3
InChIKeyWVWBQOTUXBDFGU-UHFFFAOYSA-N
XLogP3.64
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.16
LogP ≤ 53.64
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 2-(4-iodophenyl)-3-methoxyindazole?
The IUPAC name of 2-(4-iodophenyl)-3-methoxyindazole (CID 71729147) is 2-(4-iodophenyl)-3-methoxyindazole.
What is the SMILES notation for 2-(4-iodophenyl)-3-methoxyindazole?
The canonical SMILES for 2-(4-iodophenyl)-3-methoxyindazole is COc1c2ccccc2nn1-c1ccc(I)cc1.
What is the InChIKey of 2-(4-iodophenyl)-3-methoxyindazole?
The InChIKey is WVWBQOTUXBDFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11IN2O/c1-18-14-12-4-2-3-5-13(12)16-17(14)11-8-6-10(15)7-9-11/h2-9H,1H3.
What are the key properties of 2-(4-iodophenyl)-3-methoxyindazole?
2-(4-iodophenyl)-3-methoxyindazole has a molecular weight of 350.16 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenyl)-3-methoxyindazole is sourced from PubChem (CID 71729147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).