5-bromo-6-fluoro-7-methoxy-1-(2-methylpropyl)indazole

C12H14BrFN2O — CID 151069242

IUPAC5-bromo-6-fluoro-7-methoxy-1-(2-methylpropyl)indazole
SMILESCOc1c(F)c(Br)cc2cnn(CC(C)C)c12
InChIInChI=1S/C12H14BrFN2O/c1-7(2)6-16-11-8(5-15-16)4-9(13)10(14)12(11)17-3/h4-5,7H,6H2,1-3H3
InChIKeyMHTYWXRTQAPXOE-UHFFFAOYSA-N
MW301.16 g/mol
LogP3.60
Rot. Bonds3

About 5-bromo-6-fluoro-7-methoxy-1-(2-methylpropyl)indazole

5-bromo-6-fluoro-7-methoxy-1-(2-methylpropyl)indazole (PubChem CID 151069242) has the molecular formula C12H14BrFN2O and a molecular weight of 301.16 g/mol. Its IUPAC name is 5-bromo-6-fluoro-7-methoxy-1-(2-methylpropyl)indazole.

Molecular Properties

Compound Name5-bromo-6-fluoro-7-methoxy-1-(2-methylpropyl)indazole
PubChem CID151069242
Molecular FormulaC12H14BrFN2O
Molecular Weight301.16 g/mol
Exact Mass300.03
IUPAC Name5-bromo-6-fluoro-7-methoxy-1-(2-methylpropyl)indazole
SMILESCOc1c(F)c(Br)cc2cnn(CC(C)C)c12
InChIInChI=1S/C12H14BrFN2O/c1-7(2)6-16-11-8(5-15-16)4-9(13)10(14)12(11)17-3/h4-5,7H,6H2,1-3H3
InChIKeyMHTYWXRTQAPXOE-UHFFFAOYSA-N
XLogP3.60
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.16
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-bromo-6-fluoro-7-methoxy-1-(2-methylpropyl)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-6-fluoro-7-methoxy-1-(2-methylpropyl)indazole?
The IUPAC name of 5-bromo-6-fluoro-7-methoxy-1-(2-methylpropyl)indazole (CID 151069242) is 5-bromo-6-fluoro-7-methoxy-1-(2-methylpropyl)indazole.
What is the SMILES notation for 5-bromo-6-fluoro-7-methoxy-1-(2-methylpropyl)indazole?
The canonical SMILES for 5-bromo-6-fluoro-7-methoxy-1-(2-methylpropyl)indazole is COc1c(F)c(Br)cc2cnn(CC(C)C)c12.
What is the InChIKey of 5-bromo-6-fluoro-7-methoxy-1-(2-methylpropyl)indazole?
The InChIKey is MHTYWXRTQAPXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFN2O/c1-7(2)6-16-11-8(5-15-16)4-9(13)10(14)12(11)17-3/h4-5,7H,6H2,1-3H3.
What are the key properties of 5-bromo-6-fluoro-7-methoxy-1-(2-methylpropyl)indazole?
5-bromo-6-fluoro-7-methoxy-1-(2-methylpropyl)indazole has a molecular weight of 301.16 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-fluoro-7-methoxy-1-(2-methylpropyl)indazole is sourced from PubChem (CID 151069242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).