5-nitro-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid - CAS 1260384-10-8
Catalog: |
BB052380 |
Product Name: |
5-nitro-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid |
CAS: |
1260384-10-8 |
Synonyms: |
5-Nitro-1H-pyrazolo[3,4-b]pyridine-3-carboxylic acid |
IUPAC Name: | 5-nitro-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid |
Molecular Weight: | 208.13 |
Molecular Formula: | C7H4N4O4 |
Canonical SMILES: | C1=C(C=NC2=NNC(=C21)C(=O)O)[N+](=O)[O-] |
InChI: | InChI=1S/C7H4N4O4/c12-7(13)5-4-1-3(11(14)15)2-8-6(4)10-9-5/h1-2H,(H,12,13)(H,8,9,10) |
InChI Key: | IKRZBWRXRGSIBG-UHFFFAOYSA-N |
Purity: | 97% |
Complexity: | 291 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 208.02325462 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 208.02325462 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 125 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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