| CAS Number | 52311-41-8 |
| Catalog Number | AG01C1ON |
| Chemical Name | 3-Bromo-4-(4-pyridyl)pyridine |
| IUPAC Name | 3-bromo-4-pyridin-4-ylpyridine |
| InChI | InChI=1S/C10H7BrN2/c11-10-7-13-6-3-9(10)8-1-4-12-5-2-8/h1-7H |
| InChI Key | KVIILCHQXOCFDR-UHFFFAOYSA-N |
| MDL Number | MFCD00234596 |
| Molecular Formula | C10H7BrN2 |
| Molecular Weight | 235.0800 |
| SMILES | BrC1=C(C2=CC=NC=C2)C=CN=C1 |
| Synonyms | 3-bromo-4-(pyridin-4-yl)pyridine,
52311-41-8,
AC1LG8ZB,
3-bromo-4,4'-bipyridine,
3-bromo-4-pyridin-4-ylpyridine,
ZINC331209,
AKOS023671805,
Z2238508650,
3-bromo-4-pyridin-4-yl-pyridine,
CID817363,
|
| Complexity | 157 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.084g/mol |
| Monoisotopic Mass | 233.979g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 25.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
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