2-Bromo-5,6-dimethylnicotinonitrile - CAS 113124-06-4
Catalog: |
BB003109 |
Product Name: |
2-Bromo-5,6-dimethylnicotinonitrile |
CAS: |
113124-06-4 |
Synonyms: |
2-bromo-5,6-dimethyl-3-pyridinecarbonitrile; 2-bromo-5,6-dimethylpyridine-3-carbonitrile |
IUPAC Name: | 2-bromo-5,6-dimethylpyridine-3-carbonitrile |
Description: | 2-Bromo-5,6-dimethylnicotinonitrile (CAS# 113124-06-4) is a useful research chemical. |
Molecular Weight: | 211.06 |
Molecular Formula: | C8H7BrN2 |
Canonical SMILES: | CC1=C(N=C(C(=C1)C#N)Br)C |
InChI: | InChI=1S/C8H7BrN2/c1-5-3-7(4-10)8(9)11-6(5)2/h3H,1-2H3 |
InChI Key: | NBTLTCYYIULTID-UHFFFAOYSA-N |
Storage: | Inert atmosphere, 2-8 °C |
LogP: | 2.33258 |
Publication Number | Title | Priority Date |
US-2007167443-A1 | Substituted quinolones and methods of use | 20051110 |
US-7557213-B2 | Substituted quinolones and methods of use | 20051110 |
WO-2007059108-A2 | Substituted quinolones and methods of use | 20051110 |
Complexity: | 184 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 209.97926 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 209.97926 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 36.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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