4-chloro-1H-pyrazolo[3,4-b]pyridine-3-carboxylic acid - CAS 2169132-61-8
Catalog: |
BB017087 |
Product Name: |
4-chloro-1H-pyrazolo[3,4-b]pyridine-3-carboxylic acid |
CAS: |
2169132-61-8 |
Synonyms: |
4-chloro-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid; 4-chloro-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid |
IUPAC Name: | 4-chloro-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid |
Description: | 4-chloro-1H-pyrazolo[3,4-b]pyridine-3-carboxylic acid (CAS# 2169132-61-8 ) is a useful research chemical. |
Molecular Weight: | 197.578 |
Molecular Formula: | C7H4ClN3O2 |
Canonical SMILES: | C1=C(C2=C(NN=C2N=C1)C(=O)O)Cl |
InChI: | InChI=1S/C7H4ClN3O2/c8-3-1-2-9-6-4(3)5(7(12)13)10-11-6/h1-2H,(H,12,13)(H,9,10,11) |
InChI Key: | LLYZNGCCYKZHGK-UHFFFAOYSA-N |
Complexity: | 226 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.9992041 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.9992041 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 78.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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