4-(Difluoromethyl)-6-chloro-2-ethylpyrazolo[3,4-b]pyridine - CAS 1018165-54-2
Catalog: |
BB052758 |
Product Name: |
4-(Difluoromethyl)-6-chloro-2-ethylpyrazolo[3,4-b]pyridine |
CAS: |
1018165-54-2 |
Synonyms: |
6-chloro-4-(difluoromethyl)-2-ethyl-2H-pyrazolo[3,4-b]pyridine |
IUPAC Name: | 6-chloro-4-(difluoromethyl)-2-ethylpyrazolo[3,4-b]pyridine |
Molecular Weight: | 231.63 |
Molecular Formula: | C9H8ClF2N3 |
Canonical SMILES: | CCN1C=C2C(=CC(=NC2=N1)Cl)C(F)F |
InChI: | InChI=1S/C9H8ClF2N3/c1-2-15-4-6-5(8(11)12)3-7(10)13-9(6)14-15/h3-4,8H,2H2,1H3 |
InChI Key: | QGZJBPWSRPJXOG-UHFFFAOYSA-N |
Boiling Point: | 345.0±37.0 °C at 760 mmHg |
Density: | 1.5±0.1 g/cm3 |
Complexity: | 229 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 231.0374813 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 231.0374813 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 30.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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