[6-bromo-4-(hydroxymethyl)indazol-1-yl] thiohypofluorite

C8H6BrFN2OS — CID 169191360

IUPAC[6-bromo-4-(hydroxymethyl)indazol-1-yl] thiohypofluorite
SMILESOCc1cc(Br)cc2c1cnn2SF
InChIInChI=1S/C8H6BrFN2OS/c9-6-1-5(4-13)7-3-11-12(14-10)8(7)2-6/h1-3,13H,4H2
InChIKeyBJZXMIKSRJJSEQ-UHFFFAOYSA-N
MW277.12 g/mol
LogP2.67
Rot. Bonds2

About [6-bromo-4-(hydroxymethyl)indazol-1-yl] thiohypofluorite

[6-bromo-4-(hydroxymethyl)indazol-1-yl] thiohypofluorite (PubChem CID 169191360) has the molecular formula C8H6BrFN2OS and a molecular weight of 277.12 g/mol. Its IUPAC name is [6-bromo-4-(hydroxymethyl)indazol-1-yl] thiohypofluorite.

Molecular Properties

Compound Name[6-bromo-4-(hydroxymethyl)indazol-1-yl] thiohypofluorite
PubChem CID169191360
Molecular FormulaC8H6BrFN2OS
Molecular Weight277.12 g/mol
Exact Mass275.94
IUPAC Name[6-bromo-4-(hydroxymethyl)indazol-1-yl] thiohypofluorite
SMILESOCc1cc(Br)cc2c1cnn2SF
InChIInChI=1S/C8H6BrFN2OS/c9-6-1-5(4-13)7-3-11-12(14-10)8(7)2-6/h1-3,13H,4H2
InChIKeyBJZXMIKSRJJSEQ-UHFFFAOYSA-N
XLogP2.67
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.12
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [6-bromo-4-(hydroxymethyl)indazol-1-yl] thiohypofluorite 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 [6-bromo-4-(hydroxymethyl)indazol-1-yl] thiohypofluorite?
The IUPAC name of [6-bromo-4-(hydroxymethyl)indazol-1-yl] thiohypofluorite (CID 169191360) is [6-bromo-4-(hydroxymethyl)indazol-1-yl] thiohypofluorite.
What is the SMILES notation for [6-bromo-4-(hydroxymethyl)indazol-1-yl] thiohypofluorite?
The canonical SMILES for [6-bromo-4-(hydroxymethyl)indazol-1-yl] thiohypofluorite is OCc1cc(Br)cc2c1cnn2SF.
What is the InChIKey of [6-bromo-4-(hydroxymethyl)indazol-1-yl] thiohypofluorite?
The InChIKey is BJZXMIKSRJJSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrFN2OS/c9-6-1-5(4-13)7-3-11-12(14-10)8(7)2-6/h1-3,13H,4H2.
What are the key properties of [6-bromo-4-(hydroxymethyl)indazol-1-yl] thiohypofluorite?
[6-bromo-4-(hydroxymethyl)indazol-1-yl] thiohypofluorite has a molecular weight of 277.12 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-bromo-4-(hydroxymethyl)indazol-1-yl] thiohypofluorite is sourced from PubChem (CID 169191360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).