2-(Bromomethyl)pyridine-5-carbonitrile - CAS 158626-15-4
Catalog: |
BB011451 |
Product Name: |
2-(Bromomethyl)pyridine-5-carbonitrile |
CAS: |
158626-15-4 |
Synonyms: |
6-(bromomethyl)-3-pyridinecarbonitrile; 6-(bromomethyl)pyridine-3-carbonitrile |
IUPAC Name: | 6-(bromomethyl)pyridine-3-carbonitrile |
Description: | 6-(Bromomethyl)nicotinonitrile has been used as a reactant in the synthesis of oxadiazoles as selective S1P receptor agonists that may be used in the treatment of relapsing forms of MS. |
Molecular Weight: | 197.03 |
Molecular Formula: | C7H5BrN2 |
Canonical SMILES: | C1=CC(=NC=C1C#N)CBr |
InChI: | InChI=1S/C7H5BrN2/c8-3-7-2-1-6(4-9)5-10-7/h1-2,5H,3H2 |
InChI Key: | QWCGOMIAXFNYIV-UHFFFAOYSA-N |
Boiling Point: | 286.459 °C at 760 mmHg |
Density: | 1.607 g/cm3 |
Appearance: | Powder |
MDL: | MFCD11227190 |
LogP: | 1.84818 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021191379-A1 | 5-amino-8-(4-pyridyl)-[1,2,4]triazolo[4,3-c]pyrimidin-3-one compounds for use against cancer | 20200326 |
WO-2021122415-A1 | Furoindazole derivatives | 20191219 |
KR-20210059653-A | Glp-1 receptor agonist and use thereof | 20191115 |
WO-2021096304-A1 | Glp-1 receptor agonist and use thereof | 20191115 |
CN-112538482-A | RNA detection and quantification method | 20190923 |
Complexity: | 149 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 195.96361 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 195.96361 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 36.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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Pyridines
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