| CAS Number | 1016705-78-4 |
| Catalog Number | AG019MV0 |
| Chemical Name | 3-[(5-aminopyridin-2-yl)oxy]benzonitrile |
| IUPAC Name | 3-(5-aminopyridin-2-yl)oxybenzonitrile |
| InChI | InChI=1S/C12H9N3O/c13-7-9-2-1-3-11(6-9)16-12-5-4-10(14)8-15-12/h1-6,8H,14H2 |
| InChI Key | OZVJUKSPQVNLQT-UHFFFAOYSA-N |
| MDL Number | MFCD09810305 |
| Molecular Formula | C12H9N3O |
| Molecular Weight | 211.2194 |
| SMILES | NC1=CN=C(OC2=CC(C#N)=CC=C2)C=C1 |
| Synonyms | 3-[(5-aminopyridin-2-yl)oxy]benzonitrile,
1016705-78-4,
EN300-37380,
AC1Q52HR,
CTK7C8582,
ZINC19395594,
AKOS000157478,
MCULE-5292323181,
BC4155003,
Z381785728,
|
| Complexity | 273 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.224g/mol |
| Monoisotopic Mass | 211.075g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 71.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number