| CAS Number | 1228670-23-2 |
| Catalog Number | AG00HH4O(AGN-PC-0WBQPO) |
| Chemical Name | (E)-Methyl 3-(2-amino-5-fluoropyridin-3-YL)-acrylate |
| IUPAC Name | methyl (E)-3-(2-amino-5-fluoropyridin-3-yl)prop-2-enoate |
| InChI | InChI=1S/C9H9FN2O2/c1-14-8(13)3-2-6-4-7(10)5-12-9(6)11/h2-5H,1H3,(H2,11,12)/b3-2+ |
| InChI Key | SJUASNHFMOMHPW-NSCUHMNNSA-N |
| MDL Number | MFCD16628215 |
| Molecular Formula | C9H9FN2O2 |
| Molecular Weight | 196.1784 |
| SMILES | COC(=O)/C=C/c1cc(F)cnc1N |
| Synonyms | (E)-METHYL 3-(2-AMINO-5-FLUOROPYRIDIN-3-YL)-ACRYLATE,
1228670-23-2,
(E)-Methyl 3-(2-amino-5-fluoropyridin-3-yl)acrylate,
AC1Q41K6,
MFCD16628215,
ZINC66054210,
AKOS006332716,
TR-071260,
CS-0081629,
K-1756,
Methyl 3-(2-amino-5-fluoropyridin-3-yl)acrylate,
methyl (2E)-3-(2-amino-5-fluoropyridin-3-yl)prop-2-enoate,
(E)-Methyl 3-(2-amino-5-fluoropyridin-3-yl)acrylate, AldrichCPR,
|
| Complexity | 233 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 196.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.181g/mol |
| Monoisotopic Mass | 196.065g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 65.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number