5-(Trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde - CAS 1135283-53-2
Catalog: |
BB003196 |
Product Name: |
5-(Trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde |
CAS: |
1135283-53-2 |
Synonyms: |
5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde |
IUPAC Name: | 5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde |
Description: | 5-(Trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde (CAS# 1135283-53-2) is a useful research chemical. |
Molecular Weight: | 214.14 |
Molecular Formula: | C9H5F3N2O |
Canonical SMILES: | C1=C2C(=CNC2=NC=C1C(F)(F)F)C=O |
InChI: | InChI=1S/C9H5F3N2O/c10-9(11,12)6-1-7-5(4-15)2-13-8(7)14-3-6/h1-4H,(H,13,14) |
InChI Key: | KZSQRUZLWCOUOV-UHFFFAOYSA-N |
Purity: | 95 % |
LogP: | 2.39420 |
Publication Number | Title | Priority Date |
CA-2925743-A1 | Novel bicyclic pyridinones as gamma-secretase modulators | 20131004 |
CA-2925743-C | Novel bicyclic pyridinones as gamma-secretase modulators | 20131004 |
EP-3052495-A1 | Novel bicyclic pyridinones as gamma-secretase modulators | 20131004 |
EP-3052495-B1 | Novel bicyclic pyridinones as gamma-secretase modulators | 20131004 |
JP-2016531880-A | A novel bicyclic pyridinone as a gamma secretase modulator | 20131004 |
Complexity: | 256 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 214.03539727 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.03539727 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 45.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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