7-bromo-1,4-dimethylindazole

C9H9BrN2 — CID 131422474

IUPAC7-bromo-1,4-dimethylindazole
SMILESCc1ccc(Br)c2c1cnn2C
InChIInChI=1S/C9H9BrN2/c1-6-3-4-8(10)9-7(6)5-11-12(9)2/h3-5H,1-2H3
InChIKeyNKUXVHMKNRZCAW-UHFFFAOYSA-N
MW225.09 g/mol
LogP2.64
Rot. Bonds

About 7-bromo-1,4-dimethylindazole

7-bromo-1,4-dimethylindazole (PubChem CID 131422474) has the molecular formula C9H9BrN2 and a molecular weight of 225.09 g/mol. Its IUPAC name is 7-bromo-1,4-dimethylindazole.

Molecular Properties

Compound Name7-bromo-1,4-dimethylindazole
PubChem CID131422474
Molecular FormulaC9H9BrN2
Molecular Weight225.09 g/mol
Exact Mass223.99
IUPAC Name7-bromo-1,4-dimethylindazole
SMILESCc1ccc(Br)c2c1cnn2C
InChIInChI=1S/C9H9BrN2/c1-6-3-4-8(10)9-7(6)5-11-12(9)2/h3-5H,1-2H3
InChIKeyNKUXVHMKNRZCAW-UHFFFAOYSA-N
XLogP2.64
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.09
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-bromo-1,4-dimethylindazole 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-bromo-1,4-dimethylindazole?
The IUPAC name of 7-bromo-1,4-dimethylindazole (CID 131422474) is 7-bromo-1,4-dimethylindazole.
What is the SMILES notation for 7-bromo-1,4-dimethylindazole?
The canonical SMILES for 7-bromo-1,4-dimethylindazole is Cc1ccc(Br)c2c1cnn2C.
What is the InChIKey of 7-bromo-1,4-dimethylindazole?
The InChIKey is NKUXVHMKNRZCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2/c1-6-3-4-8(10)9-7(6)5-11-12(9)2/h3-5H,1-2H3.
What are the key properties of 7-bromo-1,4-dimethylindazole?
7-bromo-1,4-dimethylindazole has a molecular weight of 225.09 g/mol, XLogP of 2.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1,4-dimethylindazole is sourced from PubChem (CID 131422474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).