5-Bromo-3-pyridinecarboxamide - CAS 28733-43-9
Catalog: |
BB019931 |
Product Name: |
5-Bromo-3-pyridinecarboxamide |
CAS: |
28733-43-9 |
Synonyms: |
5-bromopyridine-3-carboxamide |
IUPAC Name: | 5-bromopyridine-3-carboxamide |
Description: | 5-Bromo-3-pyridinecarboxamide (CAS# 28733-43-9) is a useful research chemical. |
Molecular Weight: | 201.02 |
Molecular Formula: | C6H5BrN2O |
Canonical SMILES: | C1=C(C=NC=C1Br)C(=O)N |
InChI: | InChI=1S/C6H5BrN2O/c7-5-1-4(6(8)10)2-9-3-5/h1-3H,(H2,8,10) |
InChI Key: | YOQRXZIMSKLRCY-UHFFFAOYSA-N |
Boiling Point: | 315.5 °C at 760 mmHg |
Melting Point: | 218-222 °C |
Purity: | 98 % |
Density: | 1.71 g/cm3 |
Appearance: | White to brown powder, crystals or crystalline powder and/or chunks |
MDL: | MFCD00173919 |
LogP: | 1.64330 |
GHS Hazard Statement: | H302 (90.7%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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PMID | Publication Date | Title | Journal |
12798321 | 20030707 | Nicotinyl aspartyl ketones as inhibitors of caspase-3 | Bioorganic & medicinal chemistry letters |
Complexity: | 140 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 199.95853 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 199.95853 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 56 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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