1-(2-Fluorophenyl)-3-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid - CAS 1160246-27-4
Catalog: |
BB053059 |
Product Name: |
1-(2-Fluorophenyl)-3-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid |
CAS: |
1160246-27-4 |
Synonyms: |
1-(2-fluorophenyl)-3-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridine-4-carboxylicacid |
IUPAC Name: | 1-(2-fluorophenyl)-3-methyl-6-oxo-7H-pyrazolo[3,4-b]pyridine-4-carboxylic acid |
Molecular Weight: | 287.25 |
Molecular Formula: | C14H10FN3O3 |
Canonical SMILES: | CC1=NN(C2=C1C(=CC(=O)N2)C(=O)O)C3=CC=CC=C3F |
InChI: | InChI=1S/C14H10FN3O3/c1-7-12-8(14(20)21)6-11(19)16-13(12)18(17-7)10-5-3-2-4-9(10)15/h2-6H,1H3,(H,16,19)(H,20,21) |
InChI Key: | MBIIJDOQYUNMLJ-UHFFFAOYSA-N |
Boiling Point: | 506.8±50.0 °C at 760 mmHg |
Density: | 1.5±0.1 g/cm3 |
Complexity: | 496 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 287.07061935 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 287.07061935 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 84.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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