5-Bromo-2-chloro-4,6-dimethylnicotinonitrile - CAS 42951-71-3
Catalog: |
BB025289 |
Product Name: |
5-Bromo-2-chloro-4,6-dimethylnicotinonitrile |
CAS: |
42951-71-3 |
Synonyms: |
5-bromo-2-chloro-4,6-dimethyl-3-pyridinecarbonitrile; 5-bromo-2-chloro-4,6-dimethylpyridine-3-carbonitrile |
IUPAC Name: | 5-bromo-2-chloro-4,6-dimethylpyridine-3-carbonitrile |
Description: | 5-Bromo-2-chloro-4,6-dimethylnicotinonitrile (CAS# 42951-71-3) is a useful research chemical. |
Molecular Weight: | 245.50 |
Molecular Formula: | C8H6BrClN2 |
Canonical SMILES: | CC1=C(C(=NC(=C1Br)C)Cl)C#N |
InChI: | InChI=1S/C8H6BrClN2/c1-4-6(3-11)8(10)12-5(2)7(4)9/h1-2H3 |
InChI Key: | UUEREACRVVTQKF-UHFFFAOYSA-N |
Boiling Point: | 320.1 °C at 760 mmHg |
Density: | 1.64 g/cm3 |
MDL: | MFCD03791216 |
LogP: | 2.98598 |
Publication Number | Title | Priority Date |
AU-2016276316-A1 | Nuclear receptor modulators | 20150609 |
AU-2020202584-A1 | Nuclear receptor modulators | 20150609 |
CA-2988502-A1 | Nuclear receptor modulators | 20150609 |
EP-3307734-A1 | Nuclear receptor modulators | 20150609 |
EP-3307734-B1 | Nuclear receptor modulators (ror) for the treatment of inflammatory and autoimmune diseases | 20150609 |
Complexity: | 212 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 243.94029 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 243.94029 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 36.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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