| CAS Number | 260783-12-8 |
| Catalog Number | AG01C3TF(AGN-PC-0N8PWA) |
| Chemical Name | 4-chloro-2-(pyrrolidine-1-carbonyl)pyridine |
| IUPAC Name | (4-chloropyridin-2-yl)-pyrrolidin-1-ylmethanone |
| InChI | InChI=1S/C10H11ClN2O/c11-8-3-4-12-9(7-8)10(14)13-5-1-2-6-13/h3-4,7H,1-2,5-6H2 |
| InChI Key | OAQAEXHBHMLOIN-UHFFFAOYSA-N |
| MDL Number | MFCD11177040 |
| Molecular Formula | C10H11ClN2O |
| Molecular Weight | 210.6601 |
| SMILES | ClC1=CC(=NC=C1)C(=O)N1CCCC1 |
| Synonyms | 260783-12-8,
4-chloro-2-(pyrrolidine-1-carbonyl)pyridine,
4-Chloro-2-[(pyrrolidin-1-yl)carbonyl]pyridine,
(4-Chloropyridin-2-yl)(pyrrolidin-1-yl)methanone,
SCHEMBL3183579,
KS-00003TIP,
OAQAEXHBHMLOIN-UHFFFAOYSA-N,
ZINC32727571,
AKOS008981594,
MCULE-4197879456,
TS-02999,
(4-Chloro-pyridin-2-yl)-pyrrolidin-1-yl-methanone,
CID10679992,
(4-chloro-pyridin-2-yl)pyrrolidin-1-yl-methanone,
(4-chloropyridin-2-yl)-pyrrolidin-1-yl-methanone,
|
| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.661g/mol |
| Monoisotopic Mass | 210.056g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 33.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number