4-(Difluoromethyl)-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-6(7H)-one - CAS 832746-77-7
Catalog: |
BB048907 |
Product Name: |
4-(Difluoromethyl)-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-6(7H)-one |
CAS: |
832746-77-7 |
Synonyms: |
4-(difluoromethyl)-3-methyl-1-phenyl-7-hydropyrazolo[5,4-b]pyridin-6-one; 4-(difluoromethyl)-3-methyl-1-phenyl-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one; 6H-Pyrazolo[3,4-b]pyridin-6-one, 4-(difluoromethyl)-1,7-dihydro-3-methyl-1-phenyl-; 4-(difluoromethyl)-3-methyl-1-phenyl-1H,6H,7H-pyrazolo[3,4-b]pyridin-6-one |
IUPAC Name: | 4-(difluoromethyl)-3-methyl-1-phenyl-7H-pyrazolo[3,4-b]pyridin-6-one |
Description: | 4-(Difluoromethyl)-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-6(7H)-one (CAS# 832746-77-7 ) is a useful research chemical. |
Molecular Weight: | 275.25 |
Molecular Formula: | C14H11F2N3O |
Canonical SMILES: | CC1=NN(C2=C1C(=CC(=O)N2)C(F)F)C3=CC=CC=C3 |
InChI: | InChI=1S/C14H11F2N3O/c1-8-12-10(13(15)16)7-11(20)17-14(12)19(18-8)9-5-3-2-4-6-9/h2-7,13H,1H3,(H,17,20) |
InChI Key: | REZVQNWKCCUWQS-UHFFFAOYSA-N |
Boiling Point: | 448.1±45.0 °C at 760 mmHg |
Purity: | ≥ 95 % |
Density: | 1.4±0.1 g/cm3 |
Solubility: | >41.3 [ug/mL] (The mean of the results at pH 7.4) |
Complexity: | 421 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 275.08701831 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 275.08701831 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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