6-bromo-1,3-dimethylindazole;ethane

C11H15BrN2 — CID 145062136

IUPAC6-bromo-1,3-dimethylindazole;ethane
SMILESCC.Cc1nn(C)c2cc(Br)ccc12
InChIInChI=1S/C9H9BrN2.C2H6/c1-6-8-4-3-7(10)5-9(8)12(2)11-6;1-2/h3-5H,1-2H3;1-2H3
InChIKeyDPLBHZDWMHABDW-UHFFFAOYSA-N
MW255.16 g/mol
LogP3.67
Rot. Bonds

About 6-bromo-1,3-dimethylindazole;ethane

6-bromo-1,3-dimethylindazole;ethane (PubChem CID 145062136) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is 6-bromo-1,3-dimethylindazole;ethane.

Molecular Properties

Compound Name6-bromo-1,3-dimethylindazole;ethane
PubChem CID145062136
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name6-bromo-1,3-dimethylindazole;ethane
SMILESCC.Cc1nn(C)c2cc(Br)ccc12
InChIInChI=1S/C9H9BrN2.C2H6/c1-6-8-4-3-7(10)5-9(8)12(2)11-6;1-2/h3-5H,1-2H3;1-2H3
InChIKeyDPLBHZDWMHABDW-UHFFFAOYSA-N
XLogP3.67
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-bromo-1,3-dimethylindazole;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,6-dibromo-1-methylindazole
CID 76846072
6-bromo-3-(bromomethyl)-1-methylindazole
CID 171846635
6-bromo-1-methylindazol-3-amine
CID 46835549
6-fluoro-1,3-dimethylindazole
CID 59514053
6-bromo-1-methylindazole-3-carbaldehyde
CID 83912445
6-bromo-3-(1-fluoroethyl)-1-methylindazole
CID 84708995
6-bromo-4-fluoro-1,3-dimethylindazole;ethane
CID 176567002
6-bromo-1-cyclopropyl-3-methylindazole
CID 176566631
6-bromo-3-methyl-1-phenylindazole
CID 67449853
6-(2,2-dimethylpropyl)-1,3-dimethylindazole
CID 166958458
2,7-dibromo-9-methylcarbazole
CID 11851387
3-(6-bromo-1-methylindazol-3-yl)prop-2-yn-1-ol
CID 121272653

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1,3-dimethylindazole;ethane?
The IUPAC name of 6-bromo-1,3-dimethylindazole;ethane (CID 145062136) is 6-bromo-1,3-dimethylindazole;ethane.
What is the SMILES notation for 6-bromo-1,3-dimethylindazole;ethane?
The canonical SMILES for 6-bromo-1,3-dimethylindazole;ethane is CC.Cc1nn(C)c2cc(Br)ccc12.
What is the InChIKey of 6-bromo-1,3-dimethylindazole;ethane?
The InChIKey is DPLBHZDWMHABDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2.C2H6/c1-6-8-4-3-7(10)5-9(8)12(2)11-6;1-2/h3-5H,1-2H3;1-2H3.
What are the key properties of 6-bromo-1,3-dimethylindazole;ethane?
6-bromo-1,3-dimethylindazole;ethane has a molecular weight of 255.16 g/mol, XLogP of 3.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1,3-dimethylindazole;ethane is sourced from PubChem (CID 145062136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).