2-[6-(Difluoromethyl)-3-methyl-1H-pyrazolo[3,4-b]pyridin-1-yl]acetic acid - CAS 1855890-41-3
Catalog: |
BB050748 |
Product Name: |
2-[6-(Difluoromethyl)-3-methyl-1H-pyrazolo[3,4-b]pyridin-1-yl]acetic acid |
CAS: |
1855890-41-3 |
Synonyms: |
[6-(difluoromethyl)-3-methyl-1H-pyrazolo[3,4-b]pyridin-1-yl]acetic acid; 1H-Pyrazolo[3,4-b]pyridine-1-acetic acid, 6-(difluoromethyl)-3-methyl-; (6-Difluoromethyl-3-methyl-pyrazolo[3,4-b]pyridin-1-yl)-acetic acid |
IUPAC Name: | 2-[6-(difluoromethyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetic acid |
Molecular Weight: | 241.19 |
Molecular Formula: | C10H9F2N3O2 |
Canonical SMILES: | CC1=NN(C2=C1C=CC(=N2)C(F)F)CC(=O)O |
InChI: | InChI=1S/C10H9F2N3O2/c1-5-6-2-3-7(9(11)12)13-10(6)15(14-5)4-8(16)17/h2-3,9H,4H2,1H3,(H,16,17) |
InChI Key: | IJDDHJCZWGVKDD-UHFFFAOYSA-N |
Boiling Point: | 409.8±45.0°C (Predicted) |
Purity: | ≥95% |
Density: | 1.54±0.1 g/cm3 (Predicted) |
Complexity: | 303 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 241.06628286 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 241.06628286 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 68 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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