[3-bromo-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite

C10H6BrFN4S2 — CID 139339434

IUPAC[3-bromo-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite
SMILESCc1nsc(-c2ccc3c(Br)cn(SF)c3n2)n1
InChIInChI=1S/C10H6BrFN4S2/c1-5-13-10(17-15-5)8-3-2-6-7(11)4-16(18-12)9(6)14-8/h2-4H,1H3
InChIKeyIJPWJXJHMBNROW-UHFFFAOYSA-N
MW345.22 g/mol
LogP4.01
Rot. Bonds2

About [3-bromo-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite

[3-bromo-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite (PubChem CID 139339434) has the molecular formula C10H6BrFN4S2 and a molecular weight of 345.22 g/mol. Its IUPAC name is [3-bromo-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite.

Molecular Properties

Compound Name[3-bromo-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite
PubChem CID139339434
Molecular FormulaC10H6BrFN4S2
Molecular Weight345.22 g/mol
Exact Mass343.92
IUPAC Name[3-bromo-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite
SMILESCc1nsc(-c2ccc3c(Br)cn(SF)c3n2)n1
InChIInChI=1S/C10H6BrFN4S2/c1-5-13-10(17-15-5)8-3-2-6-7(11)4-16(18-12)9(6)14-8/h2-4H,1H3
InChIKeyIJPWJXJHMBNROW-UHFFFAOYSA-N
XLogP4.01
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.22
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-bromo-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite?
The IUPAC name of [3-bromo-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite (CID 139339434) is [3-bromo-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite.
What is the SMILES notation for [3-bromo-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite?
The canonical SMILES for [3-bromo-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite is Cc1nsc(-c2ccc3c(Br)cn(SF)c3n2)n1.
What is the InChIKey of [3-bromo-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite?
The InChIKey is IJPWJXJHMBNROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrFN4S2/c1-5-13-10(17-15-5)8-3-2-6-7(11)4-16(18-12)9(6)14-8/h2-4H,1H3.
What are the key properties of [3-bromo-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite?
[3-bromo-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite has a molecular weight of 345.22 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite is sourced from PubChem (CID 139339434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).