5-Bromo-3-(dimethylamino)pyridine-2-carbaldehyde - CAS 1289061-05-7
Catalog: |
BB072246 |
Product Name: |
5-Bromo-3-(dimethylamino)pyridine-2-carbaldehyde |
CAS: |
1289061-05-7 |
Synonyms: |
5-Bromo-3-(dimethylamino)picolinaldehyde; 5-BROMO-3-(DIMETHYLAMINO)PYRIDINE-2-CARBALDEHYDE |
IUPAC Name: | 5-bromo-3-(dimethylamino)pyridine-2-carbaldehyde |
Description: | 5-Bromo-3-(dimethylamino)pyridine-2-carbaldehyde |
Molecular Weight: | 229.07 |
Molecular Formula: | C8H9BrN2O |
Canonical SMILES: | CN(C)C1=C(N=CC(=C1)Br)C=O |
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 |
Complexity: | 163 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 227.98983 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 227.98983 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 33.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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