| CAS Number | 1417640-17-5 |
| Catalog Number | AG001H09(AGN-PC-0WNS6N) |
| Chemical Name | 7-(pyridin-3-yl)-1,2-dihydroisoquinolin-1-one |
| IUPAC Name | 7-pyridin-3-yl-2H-isoquinolin-1-one |
| InChI | InChI=1S/C14H10N2O/c17-14-13-8-11(12-2-1-6-15-9-12)4-3-10(13)5-7-16-14/h1-9H,(H,16,17) |
| InChI Key | ICKRXIFCUKAOGN-UHFFFAOYSA-N |
| MDL Number | MFCD31540622 |
| Molecular Formula | C14H10N2O |
| Molecular Weight | 222.2420 |
| SMILES | N1=CC(=CC=C1)C1=CC=C2C=CNC(C2=C1)=O |
| Synonyms | 1(2H)-Isoquinolinone, 7-(3-pyridinyl)-,
1417640-17-5,
7-(pyridin-3-yl)isoquinolin-1(2H)-one,
|
| Complexity | 326 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.247g/mol |
| Monoisotopic Mass | 222.079g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 42A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number