| CAS Number | 1258615-86-9 |
| Catalog Number | AG009X1K(AGN-PC-0WA9DP) |
| Chemical Name | 4-(6-Aminopyridin-3-YL)-2-fluorobenzoic acid |
| IUPAC Name | 4-(6-aminopyridin-3-yl)-2-fluorobenzoic acid |
| InChI | InChI=1S/C12H9FN2O2/c13-10-5-7(1-3-9(10)12(16)17)8-2-4-11(14)15-6-8/h1-6H,(H2,14,15)(H,16,17) |
| InChI Key | WNRBJGHVSBEMQR-UHFFFAOYSA-N |
| MDL Number | MFCD18084549 |
| Molecular Formula | C12H9FN2O2 |
| Molecular Weight | 232.2105 |
| SMILES | Nc1ccc(cn1)c1ccc(c(c1)F)C(=O)O |
| Synonyms | 4-(6-AMINOPYRIDIN-3-YL)-2-FLUOROBENZOIC ACID,
1258615-86-9,
KM5759,
MFCD18084549,
ZINC95495496,
Z9009,
C12H9FN2O2,
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| Complexity | 288 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.214g/mol |
| Monoisotopic Mass | 232.065g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 76.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number