| CAS Number | 873551-07-6 |
| Catalog Number | AG01DX8N(AGN-PC-0WOJR3) |
| Chemical Name | 2-fluoro-3-(4-iodo-5-methyl-1H-1,2,3-triazol-1-yl)-pyridine |
| IUPAC Name | 2-fluoro-3-(4-iodo-5-methyltriazol-1-yl)pyridine |
| InChI | InChI=1S/C8H6FIN4/c1-5-8(10)12-13-14(5)6-3-2-4-11-7(6)9/h2-4H,1H3 |
| InChI Key | ZJLTVIPPCKWROE-UHFFFAOYSA-N |
| MDL Number | MFCD30490702 |
| Molecular Formula | C8H6FIN4 |
| Molecular Weight | 304.0629 |
| SMILES | CC1=C(I)N=NN1C2=CC=CN=C2F |
| Synonyms | 2-fluoro-3-(4-iodo-5-methyl-1H-1,2,3-triazol-1-yl)-pyridine,
873551-07-6,
SCHEMBL2892214,
AKOS032961567,
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| Complexity | 206 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 303.962g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 304.067g/mol |
| Monoisotopic Mass | 303.962g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
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