3-[2-Ethyl-6-oxo-4-(trifluoromethyl)-2,6-dihydro-7H-pyrazolo[3,4-b]pyridin-7-yl]propanoic acid - CAS 1018126-93-6
Catalog: |
BB052683 |
Product Name: |
3-[2-Ethyl-6-oxo-4-(trifluoromethyl)-2,6-dihydro-7H-pyrazolo[3,4-b]pyridin-7-yl]propanoic acid |
CAS: |
1018126-93-6 |
Synonyms: |
3-[2-ethyl-6-oxo-4-(trifluoromethyl)-2,6-dihydro-7H-pyrazolo[3,4-b]pyridin-7-yl]propanoicacid |
IUPAC Name: | 3-[2-ethyl-6-oxo-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-7-yl]propanoic acid |
Molecular Weight: | 303.24 |
Molecular Formula: | C12H12F3N3O3 |
Canonical SMILES: | CCN1C=C2C(=CC(=O)N(C2=N1)CCC(=O)O)C(F)(F)F |
InChI: | InChI=1S/C12H12F3N3O3/c1-2-17-6-7-8(12(13,14)15)5-9(19)18(11(7)16-17)4-3-10(20)21/h5-6H,2-4H2,1H3,(H,20,21) |
InChI Key: | BQOLABBIXZTGAH-UHFFFAOYSA-N |
Boiling Point: | 397.0±42.0 °C at 760 mmHg |
Density: | 1.5±0.1 g/cm3 |
Complexity: | 478 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 303.08307574 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 303.08307574 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 75.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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