2-(5-Nitro-2-pyridinyl)acetonitrile - CAS 123846-66-2
Catalog: |
BB005753 |
Product Name: |
2-(5-Nitro-2-pyridinyl)acetonitrile |
CAS: |
123846-66-2 |
Synonyms: |
2-(5-nitro-2-pyridinyl)acetonitrile; 2-(5-nitropyridin-2-yl)acetonitrile |
IUPAC Name: | 2-(5-nitropyridin-2-yl)acetonitrile |
Description: | 2-(5-Nitro-2-pyridinyl)acetonitrile (CAS# 123846-66-2) is a useful research chemical. |
Molecular Weight: | 163.13 |
Molecular Formula: | C7H5N3O2 |
Canonical SMILES: | C1=CC(=NC=C1[N+](=O)[O-])CC#N |
InChI: | InChI=1S/C7H5N3O2/c8-4-3-6-1-2-7(5-9-6)10(11)12/h1-2,5H,3H2 |
InChI Key: | PHCKNSBYAFTJKZ-UHFFFAOYSA-N |
Boiling Point: | 342 ℃ |
Density: | 1.351 g/cm3 |
Storage: | Inert atmosphere, 2-8 ℃ |
MDL: | MFCD09033814 |
LogP: | 1.57908 |
Publication Number | Title | Priority Date |
WO-2015145369-A1 | Process for the preparation of substituted imidazo[4,5-c]quinoline compounds, intermediates and polymorphs thereof | 20140327 |
WO-2014066726-A2 | Compounds for modulating il-17 | 20121026 |
TW-201311682-A | Fused heteroaryls and their uses | 20110915 |
AU-2011340167-A1 | Substituted imidazoquinoline derivatives | 20101206 |
CN-103402520-A | Substituted imidazoquinoline derivatives | 20101206 |
Complexity: | 214 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 163.038176411 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 163.038176411 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 82.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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