4-bromo-5,6-dichloro-1H-indazole

C7H3BrCl2N2 — CID 139345853

IUPAC4-bromo-5,6-dichloro-1H-indazole
SMILESClc1cc2[nH]ncc2c(Br)c1Cl
InChIInChI=1S/C7H3BrCl2N2/c8-6-3-2-11-12-5(3)1-4(9)7(6)10/h1-2H,(H,11,12)
InChIKeyDPYNWRXCHNXAKX-UHFFFAOYSA-N
MW265.93 g/mol
LogP3.63
Rot. Bonds

About 4-bromo-5,6-dichloro-1H-indazole

4-bromo-5,6-dichloro-1H-indazole (PubChem CID 139345853) has the molecular formula C7H3BrCl2N2 and a molecular weight of 265.93 g/mol. Its IUPAC name is 4-bromo-5,6-dichloro-1H-indazole.

Molecular Properties

Compound Name4-bromo-5,6-dichloro-1H-indazole
PubChem CID139345853
Molecular FormulaC7H3BrCl2N2
Molecular Weight265.93 g/mol
Exact Mass263.89
IUPAC Name4-bromo-5,6-dichloro-1H-indazole
SMILESClc1cc2[nH]ncc2c(Br)c1Cl
InChIInChI=1S/C7H3BrCl2N2/c8-6-3-2-11-12-5(3)1-4(9)7(6)10/h1-2H,(H,11,12)
InChIKeyDPYNWRXCHNXAKX-UHFFFAOYSA-N
XLogP3.63
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.93
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 4-bromo-5,6-dichloro-1H-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 4-bromo-5,6-dichloro-1H-indazole?
The IUPAC name of 4-bromo-5,6-dichloro-1H-indazole (CID 139345853) is 4-bromo-5,6-dichloro-1H-indazole.
What is the SMILES notation for 4-bromo-5,6-dichloro-1H-indazole?
The canonical SMILES for 4-bromo-5,6-dichloro-1H-indazole is Clc1cc2[nH]ncc2c(Br)c1Cl.
What is the InChIKey of 4-bromo-5,6-dichloro-1H-indazole?
The InChIKey is DPYNWRXCHNXAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrCl2N2/c8-6-3-2-11-12-5(3)1-4(9)7(6)10/h1-2H,(H,11,12).
What are the key properties of 4-bromo-5,6-dichloro-1H-indazole?
4-bromo-5,6-dichloro-1H-indazole has a molecular weight of 265.93 g/mol, XLogP of 3.63, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5,6-dichloro-1H-indazole is sourced from PubChem (CID 139345853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).