6-(3-Methoxyphenyl)-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid - CAS 937597-68-7
Catalog: |
BB048855 |
Product Name: |
6-(3-Methoxyphenyl)-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid |
CAS: |
937597-68-7 |
Synonyms: |
6-(3-methoxyphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylic acid; 1H-Pyrazolo[3,4-b]pyridine-4-carboxylic acid, 6-(3-methoxyphenyl)-1,3-dimethyl- |
IUPAC Name: | 6-(3-methoxyphenyl)-1,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid |
Description: | 6-(3-Methoxyphenyl)-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid (CAS# 937597-68-7 ) is a useful research chemical. |
Molecular Weight: | 297.31 |
Molecular Formula: | C16H15N3O3 |
Canonical SMILES: | CC1=NN(C2=C1C(=CC(=N2)C3=CC(=CC=C3)OC)C(=O)O)C |
InChI: | InChI=1S/C16H15N3O3/c1-9-14-12(16(20)21)8-13(17-15(14)19(2)18-9)10-5-4-6-11(7-10)22-3/h4-8H,1-3H3,(H,20,21) |
InChI Key: | DEYQZQNEGUCOMX-UHFFFAOYSA-N |
Boiling Point: | 519.2±50.0 °C (Predicted) |
Purity: | ≥ 95 % |
Density: | 1.33±0.1 g/cm3 (Predicted) |
Complexity: | 419 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 297.11134135 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 297.11134135 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 77.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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