3-Nitro-1H-pyrazolo[3,4-b]pyridine - CAS 116855-00-6
Catalog: |
BB003819 |
Product Name: |
3-Nitro-1H-pyrazolo[3,4-b]pyridine |
CAS: |
116855-00-6 |
Synonyms: |
3-nitro-2H-pyrazolo[3,4-b]pyridine; 3-nitro-2H-pyrazolo[3,4-b]pyridine |
IUPAC Name: | 3-nitro-2H-pyrazolo[3,4-b]pyridine |
Description: | 3-Nitro-1H-pyrazolo[3,4-b]pyridine (CAS# 116855-00-6 ) is a useful research chemical. |
Molecular Weight: | 164.12 |
Molecular Formula: | C6H4N4O2 |
Canonical SMILES: | C1=CC2=C(NN=C2N=C1)[N+](=O)[O-] |
InChI: | InChI=1S/C6H4N4O2/c11-10(12)6-4-2-1-3-7-5(4)8-9-6/h1-3H,(H,7,8,9) |
InChI Key: | BAUHQAOOAIVBTO-UHFFFAOYSA-N |
LogP: | 1.38930 |
Publication Number | Title | Priority Date |
WO-2010111527-A1 | Pyrazolo [ 3, 4 -b] pyridines as kinase inhibitors and their medical use | 20090326 |
AU-2006262122-A1 | Azaindazole compounds and methods of use | 20050622 |
AU-2006262122-B2 | Azaindazole compounds and methods of use | 20050622 |
Complexity: | 193 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 164.03342538 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 164.03342538 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 87.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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