| CAS Number | 1612172-53-8 |
| Catalog Number | AG019F1B |
| Chemical Name | 6-Bromo-1-isopropyl-2-methyl-1H-imidazo[4,5-c]pyridine |
| IUPAC Name | 6-bromo-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridine |
| InChI | InChI=1S/C10H12BrN3/c1-6(2)14-7(3)13-8-5-12-10(11)4-9(8)14/h4-6H,1-3H3 |
| InChI Key | PSXCLSJZWMAUFE-UHFFFAOYSA-N |
| MDL Number | MFCD31580205 |
| Molecular Formula | C10H12BrN3 |
| Molecular Weight | 254.1264 |
| SMILES | C=1C2=C(C=C(N1)Br)N(C(=N2)C)C(C)C |
| Synonyms | 6-bromo-1-isopropyl-2-methyl-1H-imidazo[4,5-c]pyridine,
1612172-53-8,
1H-Imidazo[4,5-c]pyridine, 6-bromo-2-methyl-1-(1-methylethyl)-,
SCHEMBL15742079,
PSXCLSJZWMAUFE-UHFFFAOYSA-N,
ZINC222098221,
CS-0059989,
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| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.021g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.131g/mol |
| Monoisotopic Mass | 253.021g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 30.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
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