2-Chloro-5-fluoronicotinonitrile - CAS 791644-48-9
Catalog: |
BB036308 |
Product Name: |
2-Chloro-5-fluoronicotinonitrile |
CAS: |
791644-48-9 |
Synonyms: |
2-chloro-5-fluoro-3-pyridinecarbonitrile; 2-chloro-5-fluoropyridine-3-carbonitrile |
IUPAC Name: | 2-chloro-5-fluoropyridine-3-carbonitrile |
Description: | 2-Chloro-5-fluoronicotinonitrile (CAS# 791644-48-9) is a useful research chemical. |
Molecular Weight: | 156.54 |
Molecular Formula: | C6H2ClFN2 |
Canonical SMILES: | C1=C(C(=NC=C1F)Cl)C#N |
InChI: | InChI=1S/C6H2ClFN2/c7-6-4(2-9)1-5(8)3-10-6/h1,3H |
InChI Key: | SUBZTZVHVGYOPM-UHFFFAOYSA-N |
Purity: | 95 % |
Density: | 1.43 g/cm3 |
Appearance: | Solid |
MDL: | MFCD15526908 |
LogP: | 1.74578 |
Publication Number | Title | Priority Date |
WO-2020033707-A1 | Carboxamides as ubiquitin-specific protease inhibitors | 20180809 |
AU-2019319907-A1 | Carboxamides as ubiquitin-specific protease inhibitors | 20180809 |
CN-112867712-A | Carboxamides as ubiquitin-specific protease inhibitors | 20180809 |
EP-3833661-A1 | Carboxamides as ubiquitin-specific protease inhibitors | 20180809 |
KR-20210068010-A | Carboxamide as a ubiquitin-specific protease inhibitor | 20180809 |
Complexity: | 164 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 155.9890539 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 155.9890539 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 36.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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