| CAS Number | 210697-20-4 |
| Catalog Number | AG00I411(AGN-PC-0NFGEI) |
| Chemical Name | Methyl 6-(dimethylamino)-2-fluoronicotinate |
| IUPAC Name | methyl 6-(dimethylamino)-2-fluoropyridine-3-carboxylate |
| InChI | InChI=1S/C9H11FN2O2/c1-12(2)7-5-4-6(8(10)11-7)9(13)14-3/h4-5H,1-3H3 |
| InChI Key | DDRVSQDSMWRGAB-UHFFFAOYSA-N |
| MDL Number | MFCD25960915 |
| Molecular Formula | C9H11FN2O2 |
| Molecular Weight | 198.1942 |
| SMILES | COC(=O)c1ccc(nc1F)N(C)C |
| Synonyms | 210697-20-4,
Methyl 6-(dimethylamino)-2-fluoronicotinate,
methyl 6-dimethylamino-2-fluoropyridine-3-carboxylate,
ZINC135718956,
3-Pyridinecarboxylic acid, 6-(dimethylamino)-2-fluoro-, methyl ester,
CID11074358,
Methyl 6-dimethylamino-2-fluoro-pyridine-3-carboxylate,
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| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.197g/mol |
| Monoisotopic Mass | 198.08g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 42.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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