| CAS Number | 620175-59-9 |
| Catalog Number | AG019TVQ(AGN-PC-03KYJF) |
| Chemical Name | methyl 2-[(5-bromopyridin-2-yl)amino]acetate |
| IUPAC Name | methyl 2-[(5-bromopyridin-2-yl)amino]acetate |
| InChI | InChI=1S/C8H9BrN2O2/c1-13-8(12)5-11-7-3-2-6(9)4-10-7/h2-4H,5H2,1H3,(H,10,11) |
| InChI Key | YEUURHOSIOKYFP-UHFFFAOYSA-N |
| MDL Number | MFCD11122615 |
| Molecular Formula | C8H9BrN2O2 |
| Molecular Weight | 245.0733 |
| SMILES | COC(CNC1=NC=C(Br)C=C1)=O |
| Synonyms | methyl 2-[(5-bromopyridin-2-yl)amino]acetate,
620175-59-9,
SCHEMBL1093908,
YEUURHOSIOKYFP-UHFFFAOYSA-N,
ZINC21512382,
AKOS009228096,
NE60274,
5-bromo-2-(methoxycarbonylmethyl)aminopyridine,
Z2327893659,
|
| Complexity | 178 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.076g/mol |
| Monoisotopic Mass | 243.985g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 51.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number