(5-bromo-6-fluoroindazol-2-yl) thiohypofluorite

C7H3BrF2N2S — CID 144694468

IUPAC(5-bromo-6-fluoroindazol-2-yl) thiohypofluorite
SMILESFSn1cc2cc(Br)c(F)cc2n1
InChIInChI=1S/C7H3BrF2N2S/c8-5-1-4-3-12(13-10)11-7(4)2-6(5)9/h1-3H
InChIKeyGQDICYLZSUBONA-UHFFFAOYSA-N
MW265.08 g/mol
LogP3.32
Rot. Bonds1

About (5-bromo-6-fluoroindazol-2-yl) thiohypofluorite

(5-bromo-6-fluoroindazol-2-yl) thiohypofluorite (PubChem CID 144694468) has the molecular formula C7H3BrF2N2S and a molecular weight of 265.08 g/mol. Its IUPAC name is (5-bromo-6-fluoroindazol-2-yl) thiohypofluorite.

Molecular Properties

Compound Name(5-bromo-6-fluoroindazol-2-yl) thiohypofluorite
PubChem CID144694468
Molecular FormulaC7H3BrF2N2S
Molecular Weight265.08 g/mol
Exact Mass263.92
IUPAC Name(5-bromo-6-fluoroindazol-2-yl) thiohypofluorite
SMILESFSn1cc2cc(Br)c(F)cc2n1
InChIInChI=1S/C7H3BrF2N2S/c8-5-1-4-3-12(13-10)11-7(4)2-6(5)9/h1-3H
InChIKeyGQDICYLZSUBONA-UHFFFAOYSA-N
XLogP3.32
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.08
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-6-fluoroindazol-2-yl) thiohypofluorite?
The IUPAC name of (5-bromo-6-fluoroindazol-2-yl) thiohypofluorite (CID 144694468) is (5-bromo-6-fluoroindazol-2-yl) thiohypofluorite.
What is the SMILES notation for (5-bromo-6-fluoroindazol-2-yl) thiohypofluorite?
The canonical SMILES for (5-bromo-6-fluoroindazol-2-yl) thiohypofluorite is FSn1cc2cc(Br)c(F)cc2n1.
What is the InChIKey of (5-bromo-6-fluoroindazol-2-yl) thiohypofluorite?
The InChIKey is GQDICYLZSUBONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF2N2S/c8-5-1-4-3-12(13-10)11-7(4)2-6(5)9/h1-3H.
What are the key properties of (5-bromo-6-fluoroindazol-2-yl) thiohypofluorite?
(5-bromo-6-fluoroindazol-2-yl) thiohypofluorite has a molecular weight of 265.08 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-6-fluoroindazol-2-yl) thiohypofluorite is sourced from PubChem (CID 144694468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).