6-Phenoxynicotinonitrile - CAS 99902-72-4
Catalog: |
BB042361 |
Product Name: |
6-Phenoxynicotinonitrile |
CAS: |
99902-72-4 |
Synonyms: |
6-phenoxy-3-pyridinecarbonitrile; 6-phenoxypyridine-3-carbonitrile |
IUPAC Name: | 6-phenoxypyridine-3-carbonitrile |
Description: | 6-Phenoxynicotinonitrile (CAS# 99902-72-4) is a useful research chemical. |
Molecular Weight: | 196.20 |
Molecular Formula: | C12H8N2O |
Canonical SMILES: | C1=CC=C(C=C1)OC2=NC=C(C=C2)C#N |
InChI: | InChI=1S/C12H8N2O/c13-8-10-6-7-12(14-9-10)15-11-4-2-1-3-5-11/h1-7,9H |
InChI Key: | FBFTWRLLJHLPNJ-UHFFFAOYSA-N |
Boiling Point: | 340.8 ℃ at 760 mmHg |
Density: | 1.23 g/cm3 |
LogP: | 2.74558 |
Publication Number | Title | Priority Date |
CN-107011250-B | Synthetic method and application of 2- (2, 6-dichlorophenoxy) pyridine compound | 20170329 |
CA-2483515-A1 | Novel thiol derivative, method for producing the same and use thereof | 20020426 |
EP-1500658-A1 | Novel thiol derivative, process for producing the same and use thereof | 20020426 |
JP-2004002405-A | Novel thiol derivatives, their production methods and applications | 20020426 |
US-2005165064-A1 | Novel thiol derivative, process for producing the same and use thereof | 20020426 |
PMID | Publication Date | Title | Journal |
3005578 | 19860301 | Antipicornavirus activity of substituted phenoxybenzenes and phenoxypyridines | Journal of medicinal chemistry |
Complexity: | 239 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.063662883 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.063662883 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 45.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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