5-Bromo-2-iodo-1-(phenylsulfonyl)-1h-pyrrolo[2,3-b]pyridine - CAS 1211588-96-3
Catalog: |
BB071609 |
Product Name: |
5-Bromo-2-iodo-1-(phenylsulfonyl)-1h-pyrrolo[2,3-b]pyridine |
CAS: |
1211588-96-3 |
Synonyms: |
5-Bromo-2-iodo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine; 1-(PHENYLSULPHONYL)-5-BROMO-2-IODO-7-AZAINDOLE; 1-(benzenesulfonyl)-5-bromo-2-iodopyrrolo[2,3-b]pyridine |
IUPAC Name: | 1-(benzenesulfonyl)-5-bromo-2-iodopyrrolo[2,3-b]pyridine |
Description: | 5-Bromo-2-iodo-1-(phenylsulfonyl)-1h-pyrrolo[2,3-b]pyridine |
Molecular Weight: | 463.09 |
Molecular Formula: | C13H8BrIN2O2S |
Canonical SMILES: | C1=CC=C(C=C1)S(=O)(=O)N2C(=CC3=CC(=CN=C32)Br)I |
InChI: | InChI=1S/C13H8BrIN2O2S/c14-10-6-9-7-12(15)17(13(9)16-8-10)20(18,19)11-4-2-1-3-5-11/h1-8H |
InChI Key: | NUUJOBJNGUELLL-UHFFFAOYSA-N |
Complexity: | 450 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 461.85346 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 461.85346 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 60.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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