3-[2-(Dimethylamino)vinyl]-4-nitropyridine 1-Oxide - CAS 104118-88-9
Catalog: |
BB001334 |
Product Name: |
3-[2-(Dimethylamino)vinyl]-4-nitropyridine 1-Oxide |
CAS: |
104118-88-9 |
Synonyms: |
(E)-N,N-dimethyl-2-(4-nitro-1-oxido-3-pyridin-1-iumyl)ethenamine; (E)-N,N-dimethyl-2-(4-nitro-1-oxidopyridin-1-ium-3-yl)ethenamine |
IUPAC Name: | N,N-dimethyl-2-(4-nitro-1-oxidopyridin-1-ium-3-yl)ethenamine |
Description: | 3-[2-(Dimethylamino)vinyl]-4-nitropyridine 1-Oxide (CAS# 104118-88-9) is a useful research chemical. |
Molecular Weight: | 209.20 |
Molecular Formula: | C9H11N3O3 |
Canonical SMILES: | CN(C)C=CC1=C(C=C[N+](=C1)[O-])[N+](=O)[O-] |
InChI: | InChI=1S/C9H11N3O3/c1-10(2)5-3-8-7-11(13)6-4-9(8)12(14)15/h3-7H,1-2H3/b5-3+ |
InChI Key: | FGBBTNYRURUPDI-HWKANZROSA-N |
LogP: | 2.07880 |
Publication Number | Title | Priority Date |
EP-2714688-A1 | Heterocyclic compounds as protein kinase inhibitors | 20110526 |
US-2014155398-A1 | Heterocyclic compounds as protein kinase inhibitors | 20110526 |
US-8980911-B2 | Heterocyclic compounds as protein kinase inhibitors | 20110526 |
WO-2012160464-A1 | Heterocyclic compounds as protein kinase inhibitors | 20110526 |
US-2011021500-A1 | Novel compounds | 20071122 |
Complexity: | 250 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 209.08004122 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 209.08004122 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 74.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 1 |
XLogP3: | 0.2 |
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