4-chloro-3-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine - CAS 1256802-09-1
Catalog: |
BB006217 |
Product Name: |
4-chloro-3-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine |
CAS: |
1256802-09-1 |
Synonyms: |
4-chloro-3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine; 4-chloro-3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine |
IUPAC Name: | 4-chloro-3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine |
Description: | 4-chloro-3-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine (CAS# 1256802-09-1 ) is a useful research chemical. |
Molecular Weight: | 221.567 |
Molecular Formula: | C7H3ClF3N3 |
Canonical SMILES: | C1=C(C2=C(NN=C2N=C1)C(F)(F)F)Cl |
InChI: | InChI=1S/C7H3ClF3N3/c8-3-1-2-12-6-4(3)5(13-14-6)7(9,10)11/h1-2H,(H,12,13,14) |
InChI Key: | BBPZAVPGVHWLEG-UHFFFAOYSA-N |
Storage: | Inert atmosphere, 2-8 °C |
LogP: | 2.63010 |
Publication Number | Title | Priority Date |
AU-2010269674-A1 | Azabicyclo compound and salt thereof | 20090710 |
AU-2010269674-A2 | Azabicyclo compound and salt thereof | 20090710 |
AU-2010269674-B2 | Azabicyclo compound and salt thereof | 20090710 |
CA-2767556-A1 | Azabicyclo compound and salt thereof | 20090710 |
CA-2767556-C | Azabicyclo compound and salt thereof | 20090710 |
Complexity: | 223 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 220.9967593 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 220.9967593 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 41.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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