1-(4-Fluorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid - CAS 893645-69-7
Catalog: |
BB048850 |
Product Name: |
1-(4-Fluorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid |
CAS: |
893645-69-7 |
Synonyms: |
1H-Pyrazolo[3,4-b]pyridine-4-carboxylic acid, 1-(4-fluorophenyl)-3,6-dimethyl-; 1-(4-fluorophenyl)-3,6-dimethylpyrazolo[5,4-b]pyridine-4-carboxylic acid |
IUPAC Name: | 1-(4-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid |
Description: | 1-(4-Fluorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid (CAS# 893645-69-7 ) is a useful research chemical. |
Molecular Weight: | 285.27 |
Molecular Formula: | C15H12FN3O2 |
Canonical SMILES: | CC1=CC(=C2C(=NN(C2=N1)C3=CC=C(C=C3)F)C)C(=O)O |
InChI: | InChI=1S/C15H12FN3O2/c1-8-7-12(15(20)21)13-9(2)18-19(14(13)17-8)11-5-3-10(16)4-6-11/h3-7H,1-2H3,(H,20,21) |
InChI Key: | PANIZACEQJWOTI-UHFFFAOYSA-N |
Boiling Point: | 390.2±42.0 °C at 760 mmHg |
Density: | 1.4±0.1 g/cm3 |
Complexity: | 400 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 285.0913548 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 285.0913548 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 68 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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