| CAS Number | 1214370-70-3 |
| Catalog Number | AG009X7V(AGN-PC-0WNNV4) |
| Chemical Name | Methyl 6-amino-3-(4-fluorophenyl)pyridine-2-carboxylate |
| IUPAC Name | methyl 6-amino-3-(4-fluorophenyl)pyridine-2-carboxylate |
| InChI | InChI=1S/C13H11FN2O2/c1-18-13(17)12-10(6-7-11(15)16-12)8-2-4-9(14)5-3-8/h2-7H,1H3,(H2,15,16) |
| InChI Key | UEKZNHBKMXEBFZ-UHFFFAOYSA-N |
| MDL Number | MFCD14701172 |
| Molecular Formula | C13H11FN2O2 |
| Molecular Weight | 246.2370 |
| SMILES | COC(=O)c1nc(N)ccc1c1ccc(cc1)F |
| Synonyms | methyl 6-amino-3-(4-fluorophenyl)pyridine-2-carboxylate,
1214370-70-3,
ZINC47206572,
Z8329,
C13H11FN2O2,
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| Complexity | 293 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.080456g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.24g/mol |
| Monoisotopic Mass | 246.080456g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 65.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
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