6-Bromo-3-pyridinecarboxaldehyde - CAS 149806-06-4
Catalog: |
BB010449 |
Product Name: |
6-Bromo-3-pyridinecarboxaldehyde |
CAS: |
149806-06-4 |
Synonyms: |
6-bromopyridine-3-carbaldehyde |
IUPAC Name: | 6-bromopyridine-3-carbaldehyde |
Description: | A useful synthetic intermediate. |
Molecular Weight: | 186.01 |
Molecular Formula: | C6H4BrNO |
Canonical SMILES: | C1=CC(=NC=C1C=O)Br |
InChI: | InChI=1S/C6H4BrNO/c7-6-2-1-5(4-9)3-8-6/h1-4H |
InChI Key: | PVUKGNBRJFTFNJ-UHFFFAOYSA-N |
Boiling Point: | 284.1 °C at 760 mmHg |
Purity: | 97.0 % |
Density: | 1.683 g/cm3 |
MDL: | MFCD04115419 |
LogP: | 1.65660 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113461602-A | Aniline compounds with HDAC (HDAC) inhibitory activity, preparation method, composition and application | 20210707 |
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PMID | Publication Date | Title | Journal |
22024031 | 20111201 | Fluoride-18 radiolabeling of peptides bearing an aminooxy functional group to a prosthetic ligand via an oxime bond | Bioorganic & medicinal chemistry letters |
Complexity: | 107 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 184.94763 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 184.94763 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 30 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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