3-bromo-1-methylindazole

C8H7BrN2 — CID 22419368

IUPAC3-bromo-1-methylindazole
SMILESCn1nc(Br)c2ccccc21
InChIInChI=1S/C8H7BrN2/c1-11-7-5-3-2-4-6(7)8(9)10-11/h2-5H,1H3
InChIKeyNRDWKILCVWZZDP-UHFFFAOYSA-N
MW211.06 g/mol
LogP2.34
Rot. Bonds

About 3-bromo-1-methylindazole

3-bromo-1-methylindazole (PubChem CID 22419368) has the molecular formula C8H7BrN2 and a molecular weight of 211.06 g/mol. Its IUPAC name is 3-bromo-1-methylindazole.

Molecular Properties

Compound Name3-bromo-1-methylindazole
PubChem CID22419368
Molecular FormulaC8H7BrN2
Molecular Weight211.06 g/mol
Exact Mass209.98
IUPAC Name3-bromo-1-methylindazole
SMILESCn1nc(Br)c2ccccc21
InChIInChI=1S/C8H7BrN2/c1-11-7-5-3-2-4-6(7)8(9)10-11/h2-5H,1H3
InChIKeyNRDWKILCVWZZDP-UHFFFAOYSA-N
XLogP2.34
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.06
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-bromo-1-methylindazole 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-bromo-1-methylindazole?
The IUPAC name of 3-bromo-1-methylindazole (CID 22419368) is 3-bromo-1-methylindazole.
What is the SMILES notation for 3-bromo-1-methylindazole?
The canonical SMILES for 3-bromo-1-methylindazole is Cn1nc(Br)c2ccccc21.
What is the InChIKey of 3-bromo-1-methylindazole?
The InChIKey is NRDWKILCVWZZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2/c1-11-7-5-3-2-4-6(7)8(9)10-11/h2-5H,1H3.
What are the key properties of 3-bromo-1-methylindazole?
3-bromo-1-methylindazole has a molecular weight of 211.06 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-methylindazole is sourced from PubChem (CID 22419368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).