1-Benzenesulfonyl-5-bromo-3-iodo-1H-pyrrolo[2,3-b]pyridine - CAS 757978-19-1
Catalog: |
BB035403 |
Product Name: |
1-Benzenesulfonyl-5-bromo-3-iodo-1H-pyrrolo[2,3-b]pyridine |
CAS: |
757978-19-1 |
Synonyms: |
1-(benzenesulfonyl)-5-bromo-3-iodopyrrolo[2,3-b]pyridine |
IUPAC Name: | 1-(benzenesulfonyl)-5-bromo-3-iodopyrrolo[2,3-b]pyridine |
Description: | 1-Benzenesulfonyl-5-bromo-3-iodo-1H-pyrrolo[2,3-b]pyridine (CAS# 757978-19-1) is a useful research chemical. |
Molecular Weight: | 463.09 |
Molecular Formula: | C13H8BrIN2O2S |
Canonical SMILES: | C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC(=CN=C32)Br)I |
InChI: | InChI=1S/C13H8BrIN2O2S/c14-9-6-11-12(15)8-17(13(11)16-7-9)20(18,19)10-4-2-1-3-5-10/h1-8H |
InChI Key: | BVYHANZXUBVRRV-UHFFFAOYSA-N |
Purity: | 97.0 % |
MDL: | MFCD08741539 |
LogP: | 4.72120 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113214247-A | Azaindole derivative marrow cell proliferation inhibitor, preparation method and application thereof in pharmacy | 20210114 |
CN-110483508-B | Compound, preparation method and application in preparation of GSK-3 β inhibitor | 20190829 |
CN-112239473-A | Tricyclic compounds as HPK1 inhibitors | 20190717 |
WO-2021013083-A1 | Tricyclic compounds as hpk1 inhibitor and the use thereof | 20190717 |
AU-2016287335-B2 | TBK/IKKepsilon inhibitor compounds and uses thereof | 20150629 |
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: | 60.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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Pyridines
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