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

C11H11BrFN3OS — CID 143853738

IUPAC[2-bromo-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite
SMILESCC(C)(C)C(=O)c1cn(SF)c2ncc(Br)nc12
InChIInChI=1S/C11H11BrFN3OS/c1-11(2,3)9(17)6-5-16(18-13)10-8(6)15-7(12)4-14-10/h4-5H,1-3H3
InChIKeyOFBUSFAWTLSJBJ-UHFFFAOYSA-N
MW332.20 g/mol
LogP3.80
Rot. Bonds2

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

[2-bromo-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite (PubChem CID 143853738) has the molecular formula C11H11BrFN3OS and a molecular weight of 332.20 g/mol. Its IUPAC name is [2-bromo-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite.

Molecular Properties

Compound Name[2-bromo-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite
PubChem CID143853738
Molecular FormulaC11H11BrFN3OS
Molecular Weight332.20 g/mol
Exact Mass330.98
IUPAC Name[2-bromo-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite
SMILESCC(C)(C)C(=O)c1cn(SF)c2ncc(Br)nc12
InChIInChI=1S/C11H11BrFN3OS/c1-11(2,3)9(17)6-5-16(18-13)10-8(6)15-7(12)4-14-10/h4-5H,1-3H3
InChIKeyOFBUSFAWTLSJBJ-UHFFFAOYSA-N
XLogP3.80
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-Bromo-7-(ethylcarbamoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite
CID 126605554
[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
[7-(2,2-dimethylpropanoyl)-2-[(3E)-penta-1,3-dien-2-yl]pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite
CID 143853906
(2-Bromo-7-formylpyrrolo[2,3-b]pyrazin-5-yl) thiohypofluorite
CID 143854039
[7-(2,2-Dimethylpropanoyl)-2-(2-methylimidazol-1-yl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite
CID 143854061
[2-[Cyclopentyl(methyl)amino]-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite
CID 143854087
[2-Amino-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite
CID 143854088
[2-(Benzhydrylideneamino)-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite
CID 143854093
[2-(Cyclohexylcarbamoylamino)-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite
CID 143854095
1-[2-Bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-5,5,5-trifluoropentan-1-one
CID 146787233
4,4,4-trifluoro-1-(2-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)butan-1-one
CID 149455743

Frequently Asked Questions

What is the IUPAC name of [2-bromo-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite?
The IUPAC name of [2-bromo-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite (CID 143853738) is [2-bromo-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite.
What is the SMILES notation for [2-bromo-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite?
The canonical SMILES for [2-bromo-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite is CC(C)(C)C(=O)c1cn(SF)c2ncc(Br)nc12.
What is the InChIKey of [2-bromo-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite?
The InChIKey is OFBUSFAWTLSJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN3OS/c1-11(2,3)9(17)6-5-16(18-13)10-8(6)15-7(12)4-14-10/h4-5H,1-3H3.
What are the key properties of [2-bromo-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite?
[2-bromo-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite has a molecular weight of 332.20 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-7-(2,2-dimethylpropanoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite is sourced from PubChem (CID 143853738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).