3-(3,4-dichlorophenyl)-1H-indazole

C13H8Cl2N2 — CID 82073042

IUPAC3-(3,4-dichlorophenyl)-1H-indazole
SMILESClc1ccc(-c2n[nH]c3ccccc23)cc1Cl
InChIInChI=1S/C13H8Cl2N2/c14-10-6-5-8(7-11(10)15)13-9-3-1-2-4-12(9)16-17-13/h1-7H,(H,16,17)
InChIKeyHIKNLLALXRSPTR-UHFFFAOYSA-N
MW263.13 g/mol
LogP4.54
Rot. Bonds1

About 3-(3,4-dichlorophenyl)-1H-indazole

3-(3,4-dichlorophenyl)-1H-indazole (PubChem CID 82073042) has the molecular formula C13H8Cl2N2 and a molecular weight of 263.13 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-1H-indazole.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-1H-indazole
PubChem CID82073042
Molecular FormulaC13H8Cl2N2
Molecular Weight263.13 g/mol
Exact Mass262.01
IUPAC Name3-(3,4-dichlorophenyl)-1H-indazole
SMILESClc1ccc(-c2n[nH]c3ccccc23)cc1Cl
InChIInChI=1S/C13H8Cl2N2/c14-10-6-5-8(7-11(10)15)13-9-3-1-2-4-12(9)16-17-13/h1-7H,(H,16,17)
InChIKeyHIKNLLALXRSPTR-UHFFFAOYSA-N
XLogP4.54
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.13
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(3,4-dichlorophenyl)-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 3-(3,4-dichlorophenyl)-1H-indazole?
The IUPAC name of 3-(3,4-dichlorophenyl)-1H-indazole (CID 82073042) is 3-(3,4-dichlorophenyl)-1H-indazole.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-1H-indazole?
The canonical SMILES for 3-(3,4-dichlorophenyl)-1H-indazole is Clc1ccc(-c2n[nH]c3ccccc23)cc1Cl.
What is the InChIKey of 3-(3,4-dichlorophenyl)-1H-indazole?
The InChIKey is HIKNLLALXRSPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2/c14-10-6-5-8(7-11(10)15)13-9-3-1-2-4-12(9)16-17-13/h1-7H,(H,16,17).
What are the key properties of 3-(3,4-dichlorophenyl)-1H-indazole?
3-(3,4-dichlorophenyl)-1H-indazole has a molecular weight of 263.13 g/mol, XLogP of 4.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-1H-indazole is sourced from PubChem (CID 82073042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).