| CAS Number | 1016891-05-6 |
| Catalog Number | AG019TUF |
| Chemical Name | 6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-carbonitrile |
| IUPAC Name | 6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-carbonitrile |
| InChI | InChI=1S/C16H15FN4/c17-14-2-4-15(5-3-14)20-7-9-21(10-8-20)16-6-1-13(11-18)12-19-16/h1-6,12H,7-10H2 |
| InChI Key | CJXYKZNNQVWEDC-UHFFFAOYSA-N |
| MDL Number | MFCD09936073 |
| Molecular Formula | C16H15FN4 |
| Molecular Weight | 282.3155 |
| SMILES | FC1=CC=C(N2CCN(C3=NC=C(C#N)C=C3)CC2)C=C1 |
| Synonyms | 6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-carbonitrile,
1016891-05-6,
ZINC19472241,
AKOS000178293,
MCULE-9175179569,
NE49003,
EN300-99217,
Z219105722,
|
| Complexity | 377 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.128g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.322g/mol |
| Monoisotopic Mass | 282.128g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
Lot Number