3-bromo-4-fluoro-7-methylsulfanyl-2H-indazole

C8H6BrFN2S — CID 171662451

IUPAC3-bromo-4-fluoro-7-methylsulfanyl-2H-indazole
SMILESCSc1ccc(F)c2c(Br)[nH]nc12
InChIInChI=1S/C8H6BrFN2S/c1-13-5-3-2-4(10)6-7(5)11-12-8(6)9/h2-3H,1H3,(H,11,12)
InChIKeyMARDXWQAESYVOX-UHFFFAOYSA-N
MW261.12 g/mol
LogP3.19
Rot. Bonds1

About 3-bromo-4-fluoro-7-methylsulfanyl-2H-indazole

3-bromo-4-fluoro-7-methylsulfanyl-2H-indazole (PubChem CID 171662451) has the molecular formula C8H6BrFN2S and a molecular weight of 261.12 g/mol. Its IUPAC name is 3-bromo-4-fluoro-7-methylsulfanyl-2H-indazole.

Molecular Properties

Compound Name3-bromo-4-fluoro-7-methylsulfanyl-2H-indazole
PubChem CID171662451
Molecular FormulaC8H6BrFN2S
Molecular Weight261.12 g/mol
Exact Mass259.94
IUPAC Name3-bromo-4-fluoro-7-methylsulfanyl-2H-indazole
SMILESCSc1ccc(F)c2c(Br)[nH]nc12
InChIInChI=1S/C8H6BrFN2S/c1-13-5-3-2-4(10)6-7(5)11-12-8(6)9/h2-3H,1H3,(H,11,12)
InChIKeyMARDXWQAESYVOX-UHFFFAOYSA-N
XLogP3.19
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.12
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-bromo-4-fluoro-7-methylsulfanyl-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

Related Compounds

3-bromo-6-fluoro-7-methyl-2H-indazole
CID 114589294
3,4-dibromo-6-fluoro-7-methyl-2H-indazole
CID 171662324
4,7-difluoro-3-methyl-2H-indazole
CID 70307019
4-bromo-7-fluoro-3-methyl-2H-indazole
CID 118989920
4-fluoro-7-methyl-3-propan-2-yl-2H-indazole
CID 118119319
4-fluoro-3-iodo-2H-indazol-7-amine
CID 24729238
2-bromo-6-fluoro-3-methylsulfanylphenol
CID 118993315
3,4-dibromo-7-methoxy-2H-indazole
CID 114589251
(2,3-difluoro-6-methylsulfanylphenyl)-trimethylsilane
CID 171366311
4-(2,6-difluoro-3-methylsulfanylphenyl)-1H-pyrazol-5-amine
CID 117354762
4-fluoro-5-methylsulfanyl-1H-benzimidazole
CID 131073113
7-fluoro-4-methoxy-3-propan-2-yl-2H-indazole
CID 142719046

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluoro-7-methylsulfanyl-2H-indazole?
The IUPAC name of 3-bromo-4-fluoro-7-methylsulfanyl-2H-indazole (CID 171662451) is 3-bromo-4-fluoro-7-methylsulfanyl-2H-indazole.
What is the SMILES notation for 3-bromo-4-fluoro-7-methylsulfanyl-2H-indazole?
The canonical SMILES for 3-bromo-4-fluoro-7-methylsulfanyl-2H-indazole is CSc1ccc(F)c2c(Br)[nH]nc12.
What is the InChIKey of 3-bromo-4-fluoro-7-methylsulfanyl-2H-indazole?
The InChIKey is MARDXWQAESYVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrFN2S/c1-13-5-3-2-4(10)6-7(5)11-12-8(6)9/h2-3H,1H3,(H,11,12).
What are the key properties of 3-bromo-4-fluoro-7-methylsulfanyl-2H-indazole?
3-bromo-4-fluoro-7-methylsulfanyl-2H-indazole has a molecular weight of 261.12 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-fluoro-7-methylsulfanyl-2H-indazole is sourced from PubChem (CID 171662451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).