4-(Difluoromethyl)-2-butyl-6-chloro-3-methylpyrazolo[3,4-b]pyridine - CAS 1018127-82-6
Catalog: |
BB052736 |
Product Name: |
4-(Difluoromethyl)-2-butyl-6-chloro-3-methylpyrazolo[3,4-b]pyridine |
CAS: |
1018127-82-6 |
Synonyms: |
2-butyl-6-chloro-4-(difluoromethyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine |
IUPAC Name: | 2-butyl-6-chloro-4-(difluoromethyl)-3-methylpyrazolo[3,4-b]pyridine |
Molecular Weight: | 273.71 |
Molecular Formula: | C12H14ClF2N3 |
Canonical SMILES: | CCCCN1C(=C2C(=CC(=NC2=N1)Cl)C(F)F)C |
InChI: | InChI=1S/C12H14ClF2N3/c1-3-4-5-18-7(2)10-8(11(14)15)6-9(13)16-12(10)17-18/h6,11H,3-5H2,1-2H3 |
InChI Key: | OEESNLUXVRXKJS-UHFFFAOYSA-N |
Boiling Point: | 388.0±37.0 °C at 760 mmHg |
Density: | 1.4±0.1 g/cm3 |
Complexity: | 280 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 273.0844315 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 273.0844315 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 30.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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