| CAS Number | 1016867-08-5 |
| Catalog Number | AG0098ZM |
| Chemical Name | Methyl 1-(2-chloronicotinoyl)piperidine-4-carboxylate |
| IUPAC Name | methyl 1-(2-chloropyridine-3-carbonyl)piperidine-4-carboxylate |
| InChI | InChI=1S/C13H15ClN2O3/c1-19-13(18)9-4-7-16(8-5-9)12(17)10-3-2-6-15-11(10)14/h2-3,6,9H,4-5,7-8H2,1H3 |
| InChI Key | WEOOJAIFBCTSIS-UHFFFAOYSA-N |
| MDL Number | MFCD09945894 |
| Molecular Formula | C13H15ClN2O3 |
| Molecular Weight | 282.7228 |
| SMILES | COC(=O)C1CCN(CC1)C(=O)C1=C(Cl)N=CC=C1 |
| Synonyms | METHYL 1-(2-CHLORONICOTINOYL)PIPERIDINE-4-CARBOXYLATE,
1016867-08-5,
DTXSID40640924,
ZX-AH004204,
MFCD09945894,
ZINC19507481,
AKOS000190470,
ABA-8843881,
AS-31787,
methyl 1-(2-chloropyridine-3-carbonyl)piperidine-4-carboxylate,
1-(2-chloro-pyridine-3-carbonyl)-piperidine-4-carboxylic acid methyl ester,
1-(2-chloropyridine-3-carbonyl)piperidine-4-carboxylic acid methyl ester,
A-2000,
|
| Complexity | 343 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.724g/mol |
| Monoisotopic Mass | 282.077g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number