| CAS Number | 1228182-64-6 |
| Catalog Number | AG00IU77(AGN-PC-0WAZCP) |
| Chemical Name | methyl 2-(methylamino)-5-nitronicotinate |
| IUPAC Name | methyl 2-(methylamino)-5-nitropyridine-3-carboxylate |
| InChI | InChI=1S/C8H9N3O4/c1-9-7-6(8(12)15-2)3-5(4-10-7)11(13)14/h3-4H,1-2H3,(H,9,10) |
| InChI Key | HTZBLXXWGQTRJC-UHFFFAOYSA-N |
| MDL Number | MFCD16622796 |
| Molecular Formula | C8H9N3O4 |
| Molecular Weight | 211.1748 |
| SMILES | O=[N+]([O-])C1(=CN=C(NC)C(=C1)C(=O)OC) |
| Synonyms | methyl 2-(methylamino)-5-nitronicotinate,
1228182-64-6,
methyl 2-(methylamino)-5-nitropyridine-3-carboxylate,
methylmethylaminonitronicotinate,
CTK6I9318,
KS-000024UQ,
ZX-RL002894,
MFCD16622796,
SBB094465,
ZINC52507780,
AKOS015850972,
EE-0711,
RP12276,
OR303671,
TR-071223,
|
| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.177g/mol |
| Monoisotopic Mass | 211.059g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 97A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number