2-Methyl-2-(5-nitro-2-pyridinyl)propanenitrile - CAS 1256633-31-4
Catalog: |
BB006195 |
Product Name: |
2-Methyl-2-(5-nitro-2-pyridinyl)propanenitrile |
CAS: |
1256633-31-4 |
Synonyms: |
2-methyl-2-(5-nitro-2-pyridinyl)propanenitrile; 2-methyl-2-(5-nitropyridin-2-yl)propanenitrile |
IUPAC Name: | 2-methyl-2-(5-nitropyridin-2-yl)propanenitrile |
Description: | 2-Methyl-2-(5-nitro-2-pyridinyl)propanenitrile (CAS# 1256633-31-4) is a useful research chemical. |
Molecular Weight: | 191.19 |
Molecular Formula: | C9H9N3O2 |
Canonical SMILES: | CC(C)(C#N)C1=NC=C(C=C1)[N+](=O)[O-] |
InChI: | InChI=1S/C9H9N3O2/c1-9(2,6-10)8-4-3-7(5-11-8)12(13)14/h3-5H,1-2H3 |
InChI Key: | WGTZNLRJXIIZEB-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 ℃ |
LogP: | 2.31418 |
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 |
TW-201311682-A | Fused heteroaryls and their uses | 20110915 |
AU-2011340167-A1 | Substituted imidazoquinoline derivatives | 20101206 |
CA-2819955-A1 | Substituted imidazoquinoline derivatives | 20101206 |
CN-103402520-A | Substituted imidazoquinoline derivatives | 20101206 |
Complexity: | 274 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 191.069476538 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.069476538 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 82.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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