2-(3,6-Dimethyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid - CAS 866769-95-1
Catalog: |
BB048861 |
Product Name: |
2-(3,6-Dimethyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid |
CAS: |
866769-95-1 |
Synonyms: |
[3,6-dimethyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetic acid; 2-[3,6-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridinyl]acetic acid; 1H-Pyrazolo[3,4-b]pyridine-1-acetic acid, 3,6-dimethyl-4-(trifluoromethyl)- |
IUPAC Name: | 2-[3,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]acetic acid |
Description: | 2-(3,6-Dimethyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid (CAS# 866769-95-1 ) is a useful research chemical. |
Molecular Weight: | 273.21 |
Molecular Formula: | C11H10F3N3O2 |
Canonical SMILES: | CC1=CC(=C2C(=NN(C2=N1)CC(=O)O)C)C(F)(F)F |
InChI: | InChI=1S/C11H10F3N3O2/c1-5-3-7(11(12,13)14)9-6(2)16-17(4-8(18)19)10(9)15-5/h3H,4H2,1-2H3,(H,18,19) |
InChI Key: | NUVIHELTTZBAJK-UHFFFAOYSA-N |
Boiling Point: | 406.7±45.0 °C at 760 mmHg |
Purity: | ≥ 95 % |
Density: | 1.5±0.1 g/cm3 |
Complexity: | 364 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 273.07251106 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 273.07251106 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 68 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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