6-bromo-4-chloro-3-iodo-2H-indazole

C7H3BrClIN2 — CID 24728461

IUPAC6-bromo-4-chloro-3-iodo-2H-indazole
SMILESClc1cc(Br)cc2n[nH]c(I)c12
InChIInChI=1S/C7H3BrClIN2/c8-3-1-4(9)6-5(2-3)11-12-7(6)10/h1-2H,(H,11,12)
InChIKeyLFDHOIDUNKQALO-UHFFFAOYSA-N
MW357.38 g/mol
LogP3.58
Rot. Bonds

About 6-bromo-4-chloro-3-iodo-2H-indazole

6-bromo-4-chloro-3-iodo-2H-indazole (PubChem CID 24728461) has the molecular formula C7H3BrClIN2 and a molecular weight of 357.38 g/mol. Its IUPAC name is 6-bromo-4-chloro-3-iodo-2H-indazole.

Molecular Properties

Compound Name6-bromo-4-chloro-3-iodo-2H-indazole
PubChem CID24728461
Molecular FormulaC7H3BrClIN2
Molecular Weight357.38 g/mol
Exact Mass355.82
IUPAC Name6-bromo-4-chloro-3-iodo-2H-indazole
SMILESClc1cc(Br)cc2n[nH]c(I)c12
InChIInChI=1S/C7H3BrClIN2/c8-3-1-4(9)6-5(2-3)11-12-7(6)10/h1-2H,(H,11,12)
InChIKeyLFDHOIDUNKQALO-UHFFFAOYSA-N
XLogP3.58
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-bromo-4-chloro-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 6-bromo-4-chloro-3-iodo-2H-indazole?
The IUPAC name of 6-bromo-4-chloro-3-iodo-2H-indazole (CID 24728461) is 6-bromo-4-chloro-3-iodo-2H-indazole.
What is the SMILES notation for 6-bromo-4-chloro-3-iodo-2H-indazole?
The canonical SMILES for 6-bromo-4-chloro-3-iodo-2H-indazole is Clc1cc(Br)cc2n[nH]c(I)c12.
What is the InChIKey of 6-bromo-4-chloro-3-iodo-2H-indazole?
The InChIKey is LFDHOIDUNKQALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrClIN2/c8-3-1-4(9)6-5(2-3)11-12-7(6)10/h1-2H,(H,11,12).
What are the key properties of 6-bromo-4-chloro-3-iodo-2H-indazole?
6-bromo-4-chloro-3-iodo-2H-indazole has a molecular weight of 357.38 g/mol, XLogP of 3.58, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-chloro-3-iodo-2H-indazole is sourced from PubChem (CID 24728461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).