| CAS Number | 868697-72-7 |
| Catalog Number | AG019MX1(AGN-PC-02MPWZ) |
| Chemical Name | 2-((5-Aminopyridin-2-yl)oxy)benzonitrile |
| IUPAC Name | 2-(5-aminopyridin-2-yl)oxybenzonitrile |
| InChI | InChI=1S/C12H9N3O/c13-7-9-3-1-2-4-11(9)16-12-6-5-10(14)8-15-12/h1-6,8H,14H2 |
| InChI Key | HUCIFPNCTYDVQG-UHFFFAOYSA-N |
| MDL Number | MFCD09802361 |
| Molecular Formula | C12H9N3O |
| Molecular Weight | 211.2194 |
| SMILES | N#CC1=CC=CC=C1OC2=NC=C(N)C=C2 |
| Synonyms | 2-[(5-aminopyridin-2-yl)oxy]benzonitrile,
868697-72-7,
EN300-37570,
AC1Q52HP,
CTK7C8818,
ZINC19264091,
AKOS000148907,
MCULE-1540831777,
NE60841,
BC4154268,
|
| 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