5-Nitro-1H-pyrazolo[3,4-b]pyridine - CAS 63572-73-6
Catalog: |
BB053549 |
Product Name: |
5-Nitro-1H-pyrazolo[3,4-b]pyridine |
CAS: |
63572-73-6 |
Synonyms: |
5-nitropyrazolo[5,4-b]pyridine |
IUPAC Name: | 5-nitro-1H-pyrazolo[3,4-b]pyridine |
Molecular Weight: | 164.12 |
Molecular Formula: | C6H4N4O2 |
Canonical SMILES: | C1=C2C=NNC2=NC=C1[N+](=O)[O-] |
InChI: | InChI=1S/C6H4N4O2/c11-10(12)5-1-4-2-8-9-6(4)7-3-5/h1-3H,(H,7,8,9) |
InChI Key: | RXLQRSOJODHPES-UHFFFAOYSA-N |
Boiling Point: | 385.6±22.0 °C at 760 mmHg |
Purity: | 95% |
Density: | 1.6±0.1 g/cm3 |
Appearance: | Solid |
MDL: | MFCD11215386 |
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: | 0.6 |
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