4-bromo-5-methyl-1-(oxan-2-yl)indazole

C13H15BrN2O — CID 71307646

IUPAC4-bromo-5-methyl-1-(oxan-2-yl)indazole
SMILESCc1ccc2c(cnn2C2CCCCO2)c1Br
InChIInChI=1S/C13H15BrN2O/c1-9-5-6-11-10(13(9)14)8-15-16(11)12-4-2-3-7-17-12/h5-6,8,12H,2-4,7H2,1H3
InChIKeyQYBLJMHBINRKQM-UHFFFAOYSA-N
MW295.18 g/mol
LogP3.81
Rot. Bonds1

About 4-bromo-5-methyl-1-(oxan-2-yl)indazole

4-bromo-5-methyl-1-(oxan-2-yl)indazole (PubChem CID 71307646) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 4-bromo-5-methyl-1-(oxan-2-yl)indazole.

Molecular Properties

Compound Name4-bromo-5-methyl-1-(oxan-2-yl)indazole
PubChem CID71307646
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name4-bromo-5-methyl-1-(oxan-2-yl)indazole
SMILESCc1ccc2c(cnn2C2CCCCO2)c1Br
InChIInChI=1S/C13H15BrN2O/c1-9-5-6-11-10(13(9)14)8-15-16(11)12-4-2-3-7-17-12/h5-6,8,12H,2-4,7H2,1H3
InChIKeyQYBLJMHBINRKQM-UHFFFAOYSA-N
XLogP3.81
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-bromo-5-methyl-1-(oxan-2-yl)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 4-bromo-5-methyl-1-(oxan-2-yl)indazole?
The IUPAC name of 4-bromo-5-methyl-1-(oxan-2-yl)indazole (CID 71307646) is 4-bromo-5-methyl-1-(oxan-2-yl)indazole.
What is the SMILES notation for 4-bromo-5-methyl-1-(oxan-2-yl)indazole?
The canonical SMILES for 4-bromo-5-methyl-1-(oxan-2-yl)indazole is Cc1ccc2c(cnn2C2CCCCO2)c1Br.
What is the InChIKey of 4-bromo-5-methyl-1-(oxan-2-yl)indazole?
The InChIKey is QYBLJMHBINRKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-9-5-6-11-10(13(9)14)8-15-16(11)12-4-2-3-7-17-12/h5-6,8,12H,2-4,7H2,1H3.
What are the key properties of 4-bromo-5-methyl-1-(oxan-2-yl)indazole?
4-bromo-5-methyl-1-(oxan-2-yl)indazole has a molecular weight of 295.18 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-methyl-1-(oxan-2-yl)indazole is sourced from PubChem (CID 71307646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).