3-Bromo-4-pyridinecarboxaldehyde - CAS 70201-43-3
Catalog: |
BB034101 |
Product Name: |
3-Bromo-4-pyridinecarboxaldehyde |
CAS: |
70201-43-3 |
Synonyms: |
3-bromopyridine-4-carbaldehyde |
IUPAC Name: | 3-bromopyridine-4-carbaldehyde |
Description: | 3-Bromo-4-pyridinecarboxaldehyde acts as a reagent in the synthesis of 3,4,5-trisubstituted 4,5-dihydro-1,2,4-oxadiazoles agonists which interact with the G-protein-coupled bile acid receptor 1 (TGR5) inducing insulin secretion which may be used as a potential treatment for diabetus mellitus. |
Molecular Weight: | 186.01 |
Molecular Formula: | C6H4BrNO |
Canonical SMILES: | C1=CN=CC(=C1C=O)Br |
InChI: | InChI=1S/C6H4BrNO/c7-6-3-8-2-1-5(6)4-9/h1-4H |
InChI Key: | NOBDKWLIAQKADB-UHFFFAOYSA-N |
Boiling Point: | 246.2 ℃ at 760 mmHg |
Purity: | 98 % |
Density: | 1.683 g/cm3 |
MDL: | MFCD05864506 |
LogP: | 1.65660 |
GHS Hazard Statement: | H302 (93.02%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
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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 |
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