| CAS Number | 1159822-97-5 |
| Catalog Number | AG00HD64 |
| Chemical Name | 1-(2-Chloropyridine-3-carbonyl)-4-piperidinone |
| IUPAC Name | 1-(2-chloropyridine-3-carbonyl)piperidin-4-one |
| InChI | InChI=1S/C11H11ClN2O2/c12-10-9(2-1-5-13-10)11(16)14-6-3-8(15)4-7-14/h1-2,5H,3-4,6-7H2 |
| InChI Key | BTMMSBFUPRAWRX-UHFFFAOYSA-N |
| MDL Number | MFCD12068373 |
| Molecular Formula | C11H11ClN2O2 |
| Molecular Weight | 238.6702 |
| SMILES | ClC1C(=CC=CN=1)C(N1CCC(CC1)=O)=O |
| Synonyms | 1-(2-Chloropyridine-3-carbonyl)-4-piperidinone,
1159822-97-5,
1-(2-chloropyridine-3-carbonyl)piperidin-4-one,
1-(2-Chloronicotinoyl)piperidin-4-one,
DTXSID30679460,
MFCD12068373,
ZINC44137249,
AKOS026670837,
AS-31794,
A-2002,
1-(2-chloro-pyridine-3-carbonyl)-piperidin-4-one,
|
| Complexity | 286 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.671g/mol |
| Monoisotopic Mass | 238.051g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number