2-Butyl-6-Chloro-3,4-Dimethyl-2H-Pyrazolo[3,4-B]Pyridine - CAS 1018127-94-0
Catalog: |
BB052750 |
Product Name: |
2-Butyl-6-Chloro-3,4-Dimethyl-2H-Pyrazolo[3,4-B]Pyridine |
CAS: |
1018127-94-0 |
Synonyms: |
2-butyl-6-chloro-3,4-dimethyl-2H-pyrazolo[3,4-b]pyridine |
IUPAC Name: | 2-butyl-6-chloro-3,4-dimethylpyrazolo[3,4-b]pyridine |
Molecular Weight: | 237.73 |
Molecular Formula: | C12H16ClN3 |
Canonical SMILES: | CCCCN1C(=C2C(=CC(=NC2=N1)Cl)C)C |
InChI: | InChI=1S/C12H16ClN3/c1-4-5-6-16-9(3)11-8(2)7-10(13)14-12(11)15-16/h7H,4-6H2,1-3H3 |
InChI Key: | SEXZGTMYYBSGFG-UHFFFAOYSA-N |
Boiling Point: | 388.4±37.0 °C at 760 mmHg |
Density: | 1.2±0.1 g/cm3 |
Complexity: | 236 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 237.1032752 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 237.1032752 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 30.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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