5,6-dichloro-3H-benzo[e]indazole

C11H6Cl2N2 — CID 54145395

IUPAC5,6-dichloro-3H-benzo[e]indazole
SMILESClc1cccc2c1c(Cl)cc1[nH]ncc12
InChIInChI=1S/C11H6Cl2N2/c12-8-3-1-2-6-7-5-14-15-10(7)4-9(13)11(6)8/h1-5H,(H,14,15)
InChIKeyOEAHGETYGQWXMS-UHFFFAOYSA-N
MW237.09 g/mol
LogP4.02
Rot. Bonds

About 5,6-dichloro-3H-benzo[e]indazole

5,6-dichloro-3H-benzo[e]indazole (PubChem CID 54145395) has the molecular formula C11H6Cl2N2 and a molecular weight of 237.09 g/mol. Its IUPAC name is 5,6-dichloro-3H-benzo[e]indazole.

Molecular Properties

Compound Name5,6-dichloro-3H-benzo[e]indazole
PubChem CID54145395
Molecular FormulaC11H6Cl2N2
Molecular Weight237.09 g/mol
Exact Mass235.99
IUPAC Name5,6-dichloro-3H-benzo[e]indazole
SMILESClc1cccc2c1c(Cl)cc1[nH]ncc12
InChIInChI=1S/C11H6Cl2N2/c12-8-3-1-2-6-7-5-14-15-10(7)4-9(13)11(6)8/h1-5H,(H,14,15)
InChIKeyOEAHGETYGQWXMS-UHFFFAOYSA-N
XLogP4.02
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.09
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5,6-dichloro-3H-benzo[e]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 5,6-dichloro-3H-benzo[e]indazole?
The IUPAC name of 5,6-dichloro-3H-benzo[e]indazole (CID 54145395) is 5,6-dichloro-3H-benzo[e]indazole.
What is the SMILES notation for 5,6-dichloro-3H-benzo[e]indazole?
The canonical SMILES for 5,6-dichloro-3H-benzo[e]indazole is Clc1cccc2c1c(Cl)cc1[nH]ncc12.
What is the InChIKey of 5,6-dichloro-3H-benzo[e]indazole?
The InChIKey is OEAHGETYGQWXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2N2/c12-8-3-1-2-6-7-5-14-15-10(7)4-9(13)11(6)8/h1-5H,(H,14,15).
What are the key properties of 5,6-dichloro-3H-benzo[e]indazole?
5,6-dichloro-3H-benzo[e]indazole has a molecular weight of 237.09 g/mol, XLogP of 4.02, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-3H-benzo[e]indazole is sourced from PubChem (CID 54145395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).