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

C7H3BrFN3OS — CID 143854039

IUPAC(2-bromo-7-formylpyrrolo[2,3-b]pyrazin-5-yl) thiohypofluorite
SMILESO=Cc1cn(SF)c2ncc(Br)nc12
InChIInChI=1S/C7H3BrFN3OS/c8-5-1-10-7-6(11-5)4(3-13)2-12(7)14-9/h1-3H
InChIKeyWPEGTHMTVHSODN-UHFFFAOYSA-N
MW276.09 g/mol
LogP2.39
Rot. Bonds2

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

(2-bromo-7-formylpyrrolo[2,3-b]pyrazin-5-yl) thiohypofluorite (PubChem CID 143854039) has the molecular formula C7H3BrFN3OS and a molecular weight of 276.09 g/mol. Its IUPAC name is (2-bromo-7-formylpyrrolo[2,3-b]pyrazin-5-yl) thiohypofluorite.

Molecular Properties

Compound Name(2-bromo-7-formylpyrrolo[2,3-b]pyrazin-5-yl) thiohypofluorite
PubChem CID143854039
Molecular FormulaC7H3BrFN3OS
Molecular Weight276.09 g/mol
Exact Mass274.92
IUPAC Name(2-bromo-7-formylpyrrolo[2,3-b]pyrazin-5-yl) thiohypofluorite
SMILESO=Cc1cn(SF)c2ncc(Br)nc12
InChIInChI=1S/C7H3BrFN3OS/c8-5-1-10-7-6(11-5)4(3-13)2-12(7)14-9/h1-3H
InChIKeyWPEGTHMTVHSODN-UHFFFAOYSA-N
XLogP2.39
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.09
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-Methyl-5H-pyrrolo(2,3-b)pyrazine-7-carbaldehyde
CID 303903
2-Bromo-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde
CID 57516587
5H-Pyrrolo(2,3-b)pyrazine-7-carbaldehyde
CID 5383707
2-bromo-5-methyl-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde
CID 97778172
[2-Bromo-7-(ethylcarbamoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite
CID 126605554
[2-Bromo-7-(propan-2-ylcarbamoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite
CID 126605570
[7-(Ethylcarbamoyl)-2-methylpyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite
CID 126605734
[2-Bromo-7-(3,3-dimethylbutan-2-ylcarbamoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite
CID 126605827
[2-Bromo-7-(tert-butylcarbamoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite
CID 126606144
[2-Bromo-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite
CID 143853738
2-Bromo-5-fluorosulfanylpyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 144280915
[2-Bromo-7-(1-methoxypropan-2-ylcarbamoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite
CID 144540316

Frequently Asked Questions

What is the IUPAC name of (2-bromo-7-formylpyrrolo[2,3-b]pyrazin-5-yl) thiohypofluorite?
The IUPAC name of (2-bromo-7-formylpyrrolo[2,3-b]pyrazin-5-yl) thiohypofluorite (CID 143854039) is (2-bromo-7-formylpyrrolo[2,3-b]pyrazin-5-yl) thiohypofluorite.
What is the SMILES notation for (2-bromo-7-formylpyrrolo[2,3-b]pyrazin-5-yl) thiohypofluorite?
The canonical SMILES for (2-bromo-7-formylpyrrolo[2,3-b]pyrazin-5-yl) thiohypofluorite is O=Cc1cn(SF)c2ncc(Br)nc12.
What is the InChIKey of (2-bromo-7-formylpyrrolo[2,3-b]pyrazin-5-yl) thiohypofluorite?
The InChIKey is WPEGTHMTVHSODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrFN3OS/c8-5-1-10-7-6(11-5)4(3-13)2-12(7)14-9/h1-3H.
What are the key properties of (2-bromo-7-formylpyrrolo[2,3-b]pyrazin-5-yl) thiohypofluorite?
(2-bromo-7-formylpyrrolo[2,3-b]pyrazin-5-yl) thiohypofluorite has a molecular weight of 276.09 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-7-formylpyrrolo[2,3-b]pyrazin-5-yl) thiohypofluorite is sourced from PubChem (CID 143854039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).