6-Cyclopropyl-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid - CAS 886503-63-5
Catalog: |
BB048558 |
Product Name: |
6-Cyclopropyl-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid |
CAS: |
886503-63-5 |
Synonyms: |
6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylic acid; 1H-Pyrazolo[3,4-b]pyridine-4-carboxylic acid, 6-cyclopropyl-1,3-dimethyl- |
IUPAC Name: | 6-cyclopropyl-1,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid |
Description: | 6-Cyclopropyl-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid (CAS# 886503-63-5 ) is a useful research chemical. |
Molecular Weight: | 231.25 |
Molecular Formula: | C12H13N3O2 |
Canonical SMILES: | CC1=NN(C2=C1C(=CC(=N2)C3CC3)C(=O)O)C |
InChI: | InChI=1S/C12H13N3O2/c1-6-10-8(12(16)17)5-9(7-3-4-7)13-11(10)15(2)14-6/h5,7H,3-4H2,1-2H3,(H,16,17) |
InChI Key: | GMQFFGPSZPLCJJ-UHFFFAOYSA-N |
Boiling Point: | 427.0±45.0 ℃ at 760 mmHg |
Purity: | ≥ 95 % |
Density: | 1.5±0.1 g/cm3 |
Complexity: | 332 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 231.100776666 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 231.100776666 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 68 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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