2-Chloro-5,6-dimethylnicotinonitrile - CAS 65176-93-4
Catalog: |
BB032652 |
Product Name: |
2-Chloro-5,6-dimethylnicotinonitrile |
CAS: |
65176-93-4 |
Synonyms: |
2-chloro-5,6-dimethylpyridine-3-carbonitrile |
IUPAC Name: | 2-chloro-5,6-dimethylpyridine-3-carbonitrile |
Description: | Intermediate in the preparation of Histamine antagonists and Omeprazole metabolites. |
Molecular Weight: | 166.61 |
Molecular Formula: | C8H7ClN2 |
Canonical SMILES: | CC1=C(N=C(C(=C1)C#N)Cl)C |
InChI: | InChI=1S/C8H7ClN2/c1-5-3-7(4-10)8(9)11-6(5)2/h3H,1-2H3 |
InChI Key: | BYVPJDZJIHOUHA-UHFFFAOYSA-N |
Boiling Point: | 315.4 °C at 760 mmHg |
Density: | 1.222 g/cm3 |
LogP: | 2.22348 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2019069293-A1 | CHEMICAL COMPOUNDS | 20171005 |
EP-3692040-A1 | Chemical compounds | 20171005 |
US-2020255428-A1 | Chemical compounds | 20171005 |
EP-3414252-A1 | Thienopyridine carboxamides as ubiquitin-specific protease inhibitors | 20160212 |
WO-2017139778-A1 | Thienopyridine carboxamides as ubiquitin-specific protease inhibitors | 20160212 |
Complexity: | 184 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.0297759 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.0297759 |
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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