1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate - CAS 479552-94-8
Catalog: |
BB026439 |
Product Name: |
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate |
CAS: |
479552-94-8 |
Synonyms: |
1H-pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate |
IUPAC Name: | 1H-pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate |
Description: | 1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate (CAS# 479552-94-8) is a useful research chemical. |
Molecular Weight: | 266.20 |
Molecular Formula: | C8H5F3N2O3S |
Canonical SMILES: | C1=CNC2=NC=CC(=C21)OS(=O)(=O)C(F)(F)F |
InChI: | InChI=1S/C8H5F3N2O3S/c9-8(10,11)17(14,15)16-6-2-4-13-7-5(6)1-3-12-7/h1-4H,(H,12,13) |
InChI Key: | LRYTVOHQGBBSAZ-UHFFFAOYSA-N |
Purity: | 95 % |
Density: | 1.701 g/cm3 |
MDL: | MFCD09763669 |
LogP: | 2.87210 |
Publication Number | Title | Priority Date |
AU-2006233736-A1 | Process for preparing bicyclic compounds | 20050408 |
AU-2006233740-A1 | Process for preparing bicyclic compounds | 20050408 |
AU-2009200024-A1 | Azaindoles | 20010621 |
BG-108481-A | Azaindoli | 20010621 |
CA-2451678-C | Azaindoles | 20010621 |
Complexity: | 379 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 265.99729769 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 265.99729769 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 80.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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