| CAS Number | 211915-52-5 |
| Catalog Number | AG00BIGI(AGN-PC-0WAE12) |
| Chemical Name | Methyl 6-(Methylamino)-5-Nitronicotinate |
| IUPAC Name | methyl 6-(methylamino)-5-nitropyridine-3-carboxylate |
| InChI | InChI=1S/C8H9N3O4/c1-9-7-6(11(13)14)3-5(4-10-7)8(12)15-2/h3-4H,1-2H3,(H,9,10) |
| InChI Key | SKQONNBJDANXBF-UHFFFAOYSA-N |
| MDL Number | MFCD09862685 |
| Molecular Formula | C8H9N3O4 |
| Molecular Weight | 211.1748 |
| SMILES | CNC1=NC=C(C(=O)OC)C=C1[N+](=O)[O-] |
| Synonyms | Methyl 6-(methylamino)-5-nitronicotinate,
211915-52-5,
6-METHYLAMINO-5-NITRO-NICOTINIC ACID METHYL ESTER,
methyl 6-(methylamino)-5-nitropyridine-3-carboxylate,
SCHEMBL6775498,
CTK4E6055,
DTXSID20593525,
SKQONNBJDANXBF-UHFFFAOYSA-N,
KM5541,
ZINC39956527,
methyl 6-methylamino-5-nitronicotinate,
Methyl 6-methylamino-5-nitro-nicotinate,
CS-0080848,
V4321,
C8H9N3O4,
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| 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
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Certificate of Analysis
Lot Number