| CAS Number | 1055970-47-2 |
| Catalog Number | AG019D40(AGN-PC-0WBSF0) |
| Chemical Name | 3-(1H-imidazole-1-carbonyl)-2-methylpyridine |
| IUPAC Name | imidazol-1-yl-(2-methylpyridin-3-yl)methanone |
| InChI | InChI=1S/C10H9N3O/c1-8-9(3-2-4-12-8)10(14)13-6-5-11-7-13/h2-7H,1H3 |
| InChI Key | OWQPEDNXDCVXJO-UHFFFAOYSA-N |
| MDL Number | MFCD25954959 |
| Molecular Formula | C10H9N3O |
| Molecular Weight | 187.1980 |
| SMILES | N1(C=NC=C1)C(=O)C=1C(=NC=CC1)C |
| Synonyms | 2-Methylnicotinic acid imidazolide,
3-(1H-Imidazol-1-ylcarbonyl)-2-methylpyridine,
1055970-47-2,
(1H-Imidazol-1-yl)(2-methylpyridin-3-yl)methanone,
SCHEMBL4787316,
OWQPEDNXDCVXJO-UHFFFAOYSA-N,
AKOS025396824,
J3.663.887G,
(1H-Imidazole-1-yl)(2-methyl-3-pyridinyl)methanone,
|
| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.202g/mol |
| Monoisotopic Mass | 187.075g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 47.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
Lot Number