| CAS Number | 1314988-17-4 |
| Catalog Number | AG000WCM(AGN-PC-0BGIIS) |
| Chemical Name | Methyl 5-(6-aminopyridin-3-yl)-2-fluorobenzoate |
| IUPAC Name | methyl 5-(6-aminopyridin-3-yl)-2-fluorobenzoate |
| InChI | InChI=1S/C13H11FN2O2/c1-18-13(17)10-6-8(2-4-11(10)14)9-3-5-12(15)16-7-9/h2-7H,1H3,(H2,15,16) |
| InChI Key | PNQCQNFYAYAWJP-UHFFFAOYSA-N |
| MDL Number | MFCD19684172 |
| Molecular Formula | C13H11FN2O2 |
| Molecular Weight | 246.2370 |
| SMILES | COC(=O)c1cc(ccc1F)c1ccc(nc1)N |
| Synonyms | Methyl 5-(6-aminopyridin-3-yl)-2-fluorobenzoate,
1314988-17-4,
ACMC-209bmx,
CTK8B0130,
DTXSID50718567,
ANW-19351,
MFCD19684172,
ZINC75878355,
AKOS015999270,
AJ-122045,
AX8229965,
TC-108096,
ST24025396,
Z9618,
B-7108,
Benzoic acid, 5-(6-amino-3-pyridinyl)-2-fluoro-, methyl ester,
C13H11FN2O2,
Methyl5-(6-aminopyridin-3-yl)-2-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