| CAS Number | 1016532-77-6 |
| Catalog Number | AG01BD5S(AGN-PC-0WOSXN) |
| Chemical Name | 1-[(6-chloropyridin-3-yl)methyl]-1,2-dihydropyridin-2-one |
| IUPAC Name | 1-[(6-chloropyridin-3-yl)methyl]pyridin-2-one |
| InChI | InChI=1S/C11H9ClN2O/c12-10-5-4-9(7-13-10)8-14-6-2-1-3-11(14)15/h1-7H,8H2 |
| InChI Key | ZUOYPRVKHQPBBS-UHFFFAOYSA-N |
| MDL Number | MFCD09810259 |
| Molecular Formula | C11H9ClN2O |
| Molecular Weight | 220.6550 |
| SMILES | ClC1=NC=C(CN2C(=O)C=CC=C2)C=C1 |
| Synonyms | 1-[(6-CHLOROPYRIDIN-3-YL)METHYL]-1,2-DIHYDROPYRIDIN-2-ONE,
1016532-77-6,
CTK6H1430,
ZINC19391646,
AKOS000159217,
NE51179,
|
| Complexity | 301 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.656g/mol |
| Monoisotopic Mass | 220.04g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 33.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number