| CAS Number | 1314987-71-7 |
| Catalog Number | AG000WCT(AGN-PC-0BGIIT) |
| Chemical Name | Methyl 3-(6-Aminopyridin-3-Yl)-5-Fluorobenzoate |
| IUPAC Name | methyl 3-(6-aminopyridin-3-yl)-5-fluorobenzoate |
| InChI | InChI=1S/C13H11FN2O2/c1-18-13(17)10-4-9(5-11(14)6-10)8-2-3-12(15)16-7-8/h2-7H,1H3,(H2,15,16) |
| InChI Key | IWSQDIMVXVHITJ-UHFFFAOYSA-N |
| MDL Number | MFCD19441831 |
| Molecular Formula | C13H11FN2O2 |
| Molecular Weight | 246.2370 |
| SMILES | COC(=O)c1cc(F)cc(c1)c1ccc(nc1)N |
| Synonyms | Methyl 3-(6-aminopyridin-3-yl)-5-fluorobenzoate,
1314987-71-7,
ACMC-209bmq,
CTK8B0123,
DTXSID10718568,
ANW-19344,
MFCD19684175,
ZINC82046483,
CJ-22014,
AJ-124178,
AX8240425,
TC-108089,
Z9611,
B-8688,
Benzoic acid, 3-(6-amino-3-pyridinyl)-5-fluoro-, methyl ester,
C13H11FN2O2,
Methyl3-(6-aminopyridin-3-yl)-5-fluorobenzoate,
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| Complexity | 301 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.241g/mol |
| Monoisotopic Mass | 246.08g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 65.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number