1-Benzenesulfonyl-5-fluoro-3-iodo-1H-pyrrolo[2,3-b]pyridine - CAS 1001413-99-5
Catalog: |
BB000101 |
Product Name: |
1-Benzenesulfonyl-5-fluoro-3-iodo-1H-pyrrolo[2,3-b]pyridine |
CAS: |
1001413-99-5 |
Synonyms: |
1-(benzenesulfonyl)-5-fluoro-3-iodopyrrolo[2,3-b]pyridine |
IUPAC Name: | 1-(benzenesulfonyl)-5-fluoro-3-iodopyrrolo[2,3-b]pyridine |
Description: | 1-Benzenesulfonyl-5-fluoro-3-iodo-1H-pyrrolo[2,3-b]pyridine (CAS# 1001413-99-5) is a useful research chemical. |
Molecular Weight: | 402.18 |
Molecular Formula: | C13H8FIN2O2S |
Canonical SMILES: | C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC(=CN=C32)F)I |
InChI: | InChI=1S/C13H8FIN2O2S/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: | KUIWDKYKFUDNNA-UHFFFAOYSA-N |
Purity: | 95 % |
MDL: | MFCD08741537 |
LogP: | 4.09780 |
Publication Number | Title | Priority Date |
AU-2010315126-A1 | Compounds and methods for kinase modulation, and indications therefor | 20091106 |
AU-2010315126-B2 | Compounds and methods for kinase modulation, and indications therefor | 20091106 |
CA-2780190-A1 | Compounds and methods for kinase modulation, and indications therefor | 20091106 |
CN-102695417-A | Compounds and methods for kinase modulation, and indications therefor | 20091106 |
EP-2496086-A1 | Compounds and methods for kinase modulation, and indications therefor | 20091106 |
Complexity: | 450 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 401.93352 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 401.93352 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 60.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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