| CAS Number | 1021910-58-6 |
| Catalog Number | AG0096HP |
| Chemical Name | 3-Bromo-2-(2,5-dimethyl-1H-pyrrol-1-yl)pyridine |
| IUPAC Name | 3-bromo-2-(2,5-dimethylpyrrol-1-yl)pyridine |
| InChI | InChI=1S/C11H11BrN2/c1-8-5-6-9(2)14(8)11-10(12)4-3-7-13-11/h3-7H,1-2H3 |
| InChI Key | SADHFLDUJLSDPH-UHFFFAOYSA-N |
| MDL Number | MFCD21296836 |
| Molecular Formula | C11H11BrN2 |
| Molecular Weight | 251.1224 |
| SMILES | BrC=1C(=NC=CC1)N1C(=CC=C1C)C |
| Synonyms | 3-bromo-2-(2,5-dimethyl-1h-pyrrol-1-yl)pyridine,
1021910-58-6,
SCHEMBL4882091,
MFCD21296836,
ZINC83891832,
AKOS014889598,
AS-41079,
DA-48300,
FT-0740384,
3-Bromo-2-(2,5-dimethyl-1-pyrrolyl)pyridine,
3-bromo-2-(2,5-dimethyl-1H-pyrrol-1-yl)pyridine, 95% - 1G 1g,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.011g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.127g/mol |
| Monoisotopic Mass | 250.011g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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