6-Chloro-2-Methyl-4-(Trifluoromethyl)-2H-Pyrazolo[3,4-B]Pyridine - CAS 1018165-10-0
Catalog: |
BB052723 |
Product Name: |
6-Chloro-2-Methyl-4-(Trifluoromethyl)-2H-Pyrazolo[3,4-B]Pyridine |
CAS: |
1018165-10-0 |
Synonyms: |
6-chloro-2-methyl-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine |
IUPAC Name: | 6-chloro-2-methyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine |
Molecular Weight: | 235.59 |
Molecular Formula: | C8H5ClF3N3 |
Canonical SMILES: | CN1C=C2C(=CC(=NC2=N1)Cl)C(F)(F)F |
InChI: | InChI=1S/C8H5ClF3N3/c1-15-3-4-5(8(10,11)12)2-6(9)13-7(4)14-15/h2-3H,1H3 |
InChI Key: | XQLQKEWMWAZHFO-UHFFFAOYSA-N |
Boiling Point: | 305.2±37.0 °C at 760 mmHg |
Density: | 1.6±0.1 g/cm3 |
Complexity: | 248 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.0124094 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.0124094 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 30.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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