| CAS Number | 1228665-99-3 |
| Catalog Number | AG00HH3H(AGN-PC-0WBQPP) |
| Chemical Name | Methyl 3-(2-amino-5-fluoropyridin-3-yl)propanoate |
| IUPAC Name | methyl 3-(2-amino-5-fluoropyridin-3-yl)propanoate |
| InChI | InChI=1S/C9H11FN2O2/c1-14-8(13)3-2-6-4-7(10)5-12-9(6)11/h4-5H,2-3H2,1H3,(H2,11,12) |
| InChI Key | YKQARTJZEXCQLQ-UHFFFAOYSA-N |
| MDL Number | MFCD16628218 |
| Molecular Formula | C9H11FN2O2 |
| Molecular Weight | 198.1942 |
| SMILES | COC(=O)CCc1cc(F)cnc1N |
| Synonyms | Methyl 3-(2-amino-5-fluoropyridin-3-yl)propanoate,
1228665-99-3,
AC1Q442B,
CTK6J2209,
2623AD,
MFCD16628218,
ZINC66054217,
AKOS006333000,
DA-18752,
TR-071263,
CS-0081628,
FT-0732732,
K-1742,
Methyl 3-(2-amino-5-fluoropyridin-3-yl)propanoate, AldrichCPR,
C9H11FN2O2,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.197g/mol |
| Monoisotopic Mass | 198.08g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 65.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number