| CAS Number | 1171919-01-9 |
| Catalog Number | AG000DW5(AGN-PC-0WAZH0) |
| Chemical Name | ethyl 6-(1H-imidazol-1-yl)nicotinate |
| IUPAC Name | ethyl 6-imidazol-1-ylpyridine-3-carboxylate |
| InChI | InChI=1S/C11H11N3O2/c1-2-16-11(15)9-3-4-10(13-7-9)14-6-5-12-8-14/h3-8H,2H2,1H3 |
| InChI Key | IOIXFIPWOQLKHR-UHFFFAOYSA-N |
| MDL Number | MFCD12498710 |
| Molecular Formula | C11H11N3O2 |
| Molecular Weight | 217.2239 |
| SMILES | CCOC(C1=CN=C(N2C=NC=C2)C=C1)=O |
| Synonyms | ethyl 6-(1H-imidazol-1-yl)nicotinate,
1171919-01-9,
ethylimidazolylnicotinate,
CTK6F6566,
MFCD12498710,
SBB095404,
ZINC40566608,
AKOS005072765,
FD-0707,
RP12565,
KS-0000252G,
ethyl 6-imidazolylpyridine-3-carboxylate,
AJ-103592,
TR-064783,
ethyl 6-(imidazol-1-yl)pyridine-3-carboxylate,
ethyl 6-(1H-imidazol-1-yl)pyridine-3-carboxylate,
3-Pyridinecarboxylic acid, 6-(1H-imidazol-1-yl)-, ethyl ester,
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| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.228g/mol |
| Monoisotopic Mass | 217.085g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 57A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number