[2-bromo-7-(ethylcarbamoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite

C9H8BrFN4OS — CID 126605554

IUPAC[2-bromo-7-(ethylcarbamoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite
SMILESCCNC(=O)c1cn(SF)c2ncc(Br)nc12
InChIInChI=1S/C9H8BrFN4OS/c1-2-12-9(16)5-4-15(17-11)8-7(5)14-6(10)3-13-8/h3-4H,2H2,1H3,(H,12,16)
InChIKeyOVEVIPJKZJWRDN-UHFFFAOYSA-N
MW319.16 g/mol
LogP2.32
Rot. Bonds3

About [2-bromo-7-(ethylcarbamoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite

[2-bromo-7-(ethylcarbamoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite (PubChem CID 126605554) has the molecular formula C9H8BrFN4OS and a molecular weight of 319.16 g/mol. Its IUPAC name is [2-bromo-7-(ethylcarbamoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite.

Molecular Properties

Compound Name[2-bromo-7-(ethylcarbamoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite
PubChem CID126605554
Molecular FormulaC9H8BrFN4OS
Molecular Weight319.16 g/mol
Exact Mass317.96
IUPAC Name[2-bromo-7-(ethylcarbamoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite
SMILESCCNC(=O)c1cn(SF)c2ncc(Br)nc12
InChIInChI=1S/C9H8BrFN4OS/c1-2-12-9(16)5-4-15(17-11)8-7(5)14-6(10)3-13-8/h3-4H,2H2,1H3,(H,12,16)
InChIKeyOVEVIPJKZJWRDN-UHFFFAOYSA-N
XLogP2.32
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-bromo-7-(ethylcarbamoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite?
The IUPAC name of [2-bromo-7-(ethylcarbamoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite (CID 126605554) is [2-bromo-7-(ethylcarbamoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite.
What is the SMILES notation for [2-bromo-7-(ethylcarbamoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite?
The canonical SMILES for [2-bromo-7-(ethylcarbamoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite is CCNC(=O)c1cn(SF)c2ncc(Br)nc12.
What is the InChIKey of [2-bromo-7-(ethylcarbamoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite?
The InChIKey is OVEVIPJKZJWRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFN4OS/c1-2-12-9(16)5-4-15(17-11)8-7(5)14-6(10)3-13-8/h3-4H,2H2,1H3,(H,12,16).
What are the key properties of [2-bromo-7-(ethylcarbamoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite?
[2-bromo-7-(ethylcarbamoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite has a molecular weight of 319.16 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-7-(ethylcarbamoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite is sourced from PubChem (CID 126605554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).