7-azido-3-iodo-2H-indazole

C7H4IN5 — CID 151416328

IUPAC7-azido-3-iodo-2H-indazole
SMILES[N-]=[N+]=Nc1cccc2c(I)[nH]nc12
InChIInChI=1S/C7H4IN5/c8-7-4-2-1-3-5(10-13-9)6(4)11-12-7/h1-3H,(H,11,12)
InChIKeyOZPISHGEBLRTHB-UHFFFAOYSA-N
MW285.05 g/mol
LogP3.11
Rot. Bonds1

About 7-azido-3-iodo-2H-indazole

7-azido-3-iodo-2H-indazole (PubChem CID 151416328) has the molecular formula C7H4IN5 and a molecular weight of 285.05 g/mol. Its IUPAC name is 7-azido-3-iodo-2H-indazole.

Molecular Properties

Compound Name7-azido-3-iodo-2H-indazole
PubChem CID151416328
Molecular FormulaC7H4IN5
Molecular Weight285.05 g/mol
Exact Mass284.95
IUPAC Name7-azido-3-iodo-2H-indazole
SMILES[N-]=[N+]=Nc1cccc2c(I)[nH]nc12
InChIInChI=1S/C7H4IN5/c8-7-4-2-1-3-5(10-13-9)6(4)11-12-7/h1-3H,(H,11,12)
InChIKeyOZPISHGEBLRTHB-UHFFFAOYSA-N
XLogP3.11
TPSA77.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.05
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 7-azido-3-iodo-2H-indazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-azido-3-iodo-2H-indazole?
The IUPAC name of 7-azido-3-iodo-2H-indazole (CID 151416328) is 7-azido-3-iodo-2H-indazole.
What is the SMILES notation for 7-azido-3-iodo-2H-indazole?
The canonical SMILES for 7-azido-3-iodo-2H-indazole is [N-]=[N+]=Nc1cccc2c(I)[nH]nc12.
What is the InChIKey of 7-azido-3-iodo-2H-indazole?
The InChIKey is OZPISHGEBLRTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4IN5/c8-7-4-2-1-3-5(10-13-9)6(4)11-12-7/h1-3H,(H,11,12).
What are the key properties of 7-azido-3-iodo-2H-indazole?
7-azido-3-iodo-2H-indazole has a molecular weight of 285.05 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-azido-3-iodo-2H-indazole is sourced from PubChem (CID 151416328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).