| CAS Number | 1185145-94-1 |
| Catalog Number | AG0099N4(AGN-PC-0WR4H1) |
| Chemical Name | 4-(6-Fluoropyridin-2-yl)piperidine-4-carbonitrile, HCl |
| IUPAC Name | 4-(6-fluoropyridin-2-yl)piperidine-4-carbonitrile;hydrochloride |
| InChI | InChI=1S/C11H12FN3.ClH/c12-10-3-1-2-9(15-10)11(8-13)4-6-14-7-5-11;/h1-3,14H,4-7H2;1H |
| InChI Key | GZXWMSKCRAQGOM-UHFFFAOYSA-N |
| MDL Number | MFCD11100900 |
| Molecular Formula | C11H13ClFN3 |
| Molecular Weight | 241.6924 |
| SMILES | Cl.FC1=CC=CC(=N1)C1(CCNCC1)C#N |
| Synonyms | 1185145-94-1,
4-(6-FLUOROPYRIDIN-2-YL)PIPERIDINE-4-CARBONITRILE HCL,
4-(6-FLUOROPYRIDIN-2-YL)PIPERIDINE-4-CARBONITRILE HYDROCHLORIDE,
CTK7C5743,
DTXSID00672847,
AR2423,
MFCD11100900,
AS-45355,
X-2869,
4-(6-Fluoropyridin-2-yl)piperidine-4-carbonitrile, HCl,
4-(6-Fluoropyridin-2-yl)piperidine-4-carbonitrile--hydrogen chloride (1/1),
4-(6-fluoropyridin-2-yl)piperidine-4-carbonitrile,hydrochloride,
|
| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.694g/mol |
| Monoisotopic Mass | 241.078g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 48.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number