6-Bromo-5-methylpyridine-2-carbonitrile - CAS 450844-27-6
Catalog: |
BB025758 |
Product Name: |
6-Bromo-5-methylpyridine-2-carbonitrile |
CAS: |
450844-27-6 |
Synonyms: |
6-bromo-5-methyl-2-pyridinecarbonitrile; 6-bromo-5-methylpyridine-2-carbonitrile |
IUPAC Name: | 6-bromo-5-methylpyridine-2-carbonitrile |
Description: | 6-Bromo-5-methylpyridine-2-carbonitrile (CAS# 450844-27-6) is a useful research chemical. |
Molecular Weight: | 197.03 |
Molecular Formula: | C7H5BrN2 |
Canonical SMILES: | CC1=C(N=C(C=C1)C#N)Br |
InChI: | InChI=1S/C7H5BrN2/c1-5-2-3-6(4-9)10-7(5)8/h2-3H,1H3 |
InChI Key: | DHFCAAHDNSOIAE-UHFFFAOYSA-N |
MDL: | MFCD11044272 |
LogP: | 2.02418 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2017356214-A1 | Heterocyclic modulators of lipid synthesis | 20161111 |
EP-3538088-A1 | Heterocyclic modulators of lipid synthesis | 20161111 |
JP-2019533714-A | Heterocyclic modulators of lipid synthesis | 20161111 |
KR-20190096346-A | Heterocyclic Regulators of Lipid Synthesis | 20161111 |
US-2019308969-A1 | Heterocyclic modulators of lipid synthesis | 20161111 |
Complexity: | 160 |
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: | 0 |
Topological Polar Surface Area: | 36.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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Pyridines
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