| CAS Number | 1289061-05-7 |
| Catalog Number | AG000YHO(AGN-PC-0WAB5U) |
| Chemical Name | 5-Bromo-3-(dimethylamino)pyridine-2-carbaldehyde |
| IUPAC Name | 5-bromo-3-(dimethylamino)pyridine-2-carbaldehyde |
| InChI | InChI=1S/C8H9BrN2O/c1-11(2)8-3-6(9)4-10-7(8)5-12/h3-5H,1-2H3 |
| InChI Key | XBSGRFGVJQEYIA-UHFFFAOYSA-N |
| MDL Number | MFCD24448826 |
| Molecular Formula | C8H9BrN2O |
| Molecular Weight | 229.0739 |
| SMILES | BrC=1C=C(C(=NC1)C=O)N(C)C |
| Synonyms | 5-Bromo-3-(dimethylamino)picolinaldehyde,
1289061-05-7,
5-BROMO-3-(DIMETHYLAMINO)PYRIDINE-2-CARBALDEHYDE,
KM5548,
ZINC95495985,
AKOS024259185,
FCH2342393,
AJ-132690,
AX8283938,
Z9445,
2-Pyridinecarboxaldehyde, 5-bromo-3-(dimethylamino)-,
C8H9BrN2O,
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| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.077g/mol |
| Monoisotopic Mass | 227.99g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 33.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number