| CAS Number | 1216772-15-4 |
| Catalog Number | AG00HGC8(AGN-PC-0WR6WB) |
| Chemical Name | Methyl 4-(2-aminopyridin-3-yl)benzoate |
| IUPAC Name | methyl 4-(2-aminopyridin-3-yl)benzoate |
| InChI | InChI=1S/C13H12N2O2/c1-17-13(16)10-6-4-9(5-7-10)11-3-2-8-15-12(11)14/h2-8H,1H3,(H2,14,15) |
| InChI Key | QHKHJYWKBPPHJH-UHFFFAOYSA-N |
| MDL Number | MFCD18084747 |
| Molecular Formula | C13H12N2O2 |
| Molecular Weight | 228.2466 |
| SMILES | COC(=O)c1ccc(cc1)c1cccnc1N |
| Synonyms | Methyl 4-(2-aminopyridin-3-yl)benzoate,
1216772-15-4,
ZINC82729964,
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| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.251g/mol |
| Monoisotopic Mass | 228.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 65.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
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