| CAS Number | 2117405-13-5 |
| Catalog Number | AG01DX69 |
| Chemical Name | 6'-fluoro-2-[4-(4-methyl-4H-1,2,4-triazol-3-yl)piperidin-1-yl]-3,3'-bipyridine |
| IUPAC Name | 2-fluoro-5-[2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridin-3-yl]pyridine |
| InChI | InChI=1S/C18H19FN6/c1-24-12-22-23-17(24)13-6-9-25(10-7-13)18-15(3-2-8-20-18)14-4-5-16(19)21-11-14/h2-5,8,11-13H,6-7,9-10H2,1H3 |
| InChI Key | AJIAMIPUWJQSPR-UHFFFAOYSA-N |
| MDL Number | MFCD30343871 |
| Molecular Formula | C18H19FN6 |
| Molecular Weight | 338.3821 |
| SMILES | CN1C(C2CCN(C3=C(C4=CN=C(F)C=C4)C=CC=N3)CC2)=NN=C1 |
| Synonyms | 3-(6-fluoropyridin-3-yl)-2-[4-(4-methyl-4H-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine,
2117405-13-5,
2-fluoranyl-5-[2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridin-3-yl]pyridine,
6''-fluoro-4-(4-methyl-4H-[1,2,4]triazol-3-yl)-3,4,5,6-tetrahydro-2H-[1,2';3',3'']terpyridine,
s77,
ZINC231368546,
SEN177, >=98% (HPLC),
|
| Complexity | 430 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 338.166g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 338.39g/mol |
| Monoisotopic Mass | 338.166g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number