5-bromo-3-methyl-2H-indazole

C8H7BrN2 — CID 22558740

IUPAC5-bromo-3-methyl-2H-indazole
SMILESCc1[nH]nc2ccc(Br)cc12
InChIInChI=1S/C8H7BrN2/c1-5-7-4-6(9)2-3-8(7)11-10-5/h2-4H,1H3,(H,10,11)
InChIKeyXDJNHYAQZWCIAH-UHFFFAOYSA-N
MW211.06 g/mol
LogP2.63
Rot. Bonds

About 5-bromo-3-methyl-2H-indazole

5-bromo-3-methyl-2H-indazole (PubChem CID 22558740) has the molecular formula C8H7BrN2 and a molecular weight of 211.06 g/mol. Its IUPAC name is 5-bromo-3-methyl-2H-indazole.

Molecular Properties

Compound Name5-bromo-3-methyl-2H-indazole
PubChem CID22558740
Molecular FormulaC8H7BrN2
Molecular Weight211.06 g/mol
Exact Mass209.98
IUPAC Name5-bromo-3-methyl-2H-indazole
SMILESCc1[nH]nc2ccc(Br)cc12
InChIInChI=1S/C8H7BrN2/c1-5-7-4-6(9)2-3-8(7)11-10-5/h2-4H,1H3,(H,10,11)
InChIKeyXDJNHYAQZWCIAH-UHFFFAOYSA-N
XLogP2.63
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.06
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-bromo-3-methyl-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 5-bromo-3-methyl-2H-indazole?
The IUPAC name of 5-bromo-3-methyl-2H-indazole (CID 22558740) is 5-bromo-3-methyl-2H-indazole.
What is the SMILES notation for 5-bromo-3-methyl-2H-indazole?
The canonical SMILES for 5-bromo-3-methyl-2H-indazole is Cc1[nH]nc2ccc(Br)cc12.
What is the InChIKey of 5-bromo-3-methyl-2H-indazole?
The InChIKey is XDJNHYAQZWCIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2/c1-5-7-4-6(9)2-3-8(7)11-10-5/h2-4H,1H3,(H,10,11).
What are the key properties of 5-bromo-3-methyl-2H-indazole?
5-bromo-3-methyl-2H-indazole has a molecular weight of 211.06 g/mol, XLogP of 2.63, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-2H-indazole is sourced from PubChem (CID 22558740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).