2-Chloro-7-iodo-5-tosyl-5H-pyrrolo[2,3-b]pyrazine

HCID 59463524

Basic information

CAS
889447-21-6
Standard SMILES
Cc1ccc(S(=O)(=O)n2cc(I)c3nc(Cl)cnc32)cc1
InChIKey
UJULUXSKCYVDPH-UHFFFAOYSA-N
Molecular formula
C13H9ClIN3O2S
Average molar mass
433.65 g/mol
Monoisotopic mass
432.91487321

Names & identifiers

Preferred name
2-Chloro-7-iodo-5-tosyl-5H-pyrrolo[2,3-b]pyrazine
IUPAC
2-chloro-7-iodo-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine

Names & synonyms

2-Chloro-7-iodo-5-tosyl-5H-pyrrolo[2,3-b]pyrazine889447-21-62-Chloro-7-iodo-5-(toluene-4-sulfonyl)-5H-pyrrolo[2,3-b]pyrazineSCHEMBL1605699UJULUXSKCYVDPH-UHFFFAOYSA-NDTXSID701155502DB-3032142-Chloro-7-iodo-5-(toluene4-sulfonyl)-5H-pyrrolo [2,3-b]pyrazine2-Chloro-7-iodo-5-(4-methylbenzene-1-sulfonyl)-5H-pyrrolo[2,3-b]pyrazine2-Chloro-7-iodo-5-[(4-methylphenyl)sulfonyl]-5H-pyrrolo[2,3-b]pyrazine

Database identifiers

CAS
889447-21-6
PubChem CID
59463524
DTXSID
DTXSID701155502

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
73.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
21

Related reactions

4 records

Compound notes

Loading…