| CAS Number | 1220419-53-3 |
| Catalog Number | AG009W6Z(AGN-PC-0WB0S1) |
| Chemical Name | methyl 5-bromo-2-(methylamino)pyridine-3-carboxylate |
| IUPAC Name | methyl 5-bromo-2-(methylamino)pyridine-3-carboxylate |
| InChI | InChI=1S/C8H9BrN2O2/c1-10-7-6(8(12)13-2)3-5(9)4-11-7/h3-4H,1-2H3,(H,10,11) |
| InChI Key | MAMQONOUTCNFKW-UHFFFAOYSA-N |
| MDL Number | MFCD19687423 |
| Molecular Formula | C8H9BrN2O2 |
| Molecular Weight | 245.0733 |
| SMILES | CNC1=C(C=C(C=N1)Br)C(=O)OC |
| Synonyms | 1220419-53-3,
methyl 5-bromo-2-(methylamino)nicotinate,
methyl 5-bromo-2-(methylamino)pyridine-3-carboxylate,
Methyl 5-bromo-2-(methylamino)-pyridine-3-carboxylate,
SCHEMBL3344339,
MAMQONOUTCNFKW-UHFFFAOYSA-N,
KS-00001Q9S,
ZX-RL000652,
2421AD,
MFCD19687423,
ZINC91294511,
AKOS015996942,
FCH1359512,
LG-0716,
MCULE-7817878189,
OR303136,
C8H9BrN2O2,
|
| Complexity | 189 |
| 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 | 3 |
| Topological Polar Surface Area | 51.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number