6-acetamido-3-bromopicolinic acid - CAS 882430-69-5
Catalog: |
BB038792 |
Product Name: |
6-acetamido-3-bromopicolinic acid |
CAS: |
882430-69-5 |
Synonyms: |
6-acetamido-3-bromo-2-pyridinecarboxylic acid; 6-acetamido-3-bromopyridine-2-carboxylic acid |
IUPAC Name: | 6-acetamido-3-bromopyridine-2-carboxylic acid |
Description: | 6-acetamido-3-bromopicolinic acid (CAS# 882430-69-5) is a chemical reagent used in the preparation of anti-retroviral agents. Derivative of Picolinic Acid (P437220), used in the preparation of 2-Aminodihydro[1,3]thiazines as BACE 2 inhibitors and their preparation and use in the treatment of diabetes. |
Molecular Weight: | 259.06 |
Molecular Formula: | C8H7BrN2O3 |
Canonical SMILES: | CC(=O)NC1=NC(=C(C=C1)Br)C(=O)O |
InChI: | InChI=1S/C8H7BrN2O3/c1-4(12)10-6-3-2-5(9)7(11-6)8(13)14/h2-3H,1H3,(H,13,14)(H,10,11,12) |
InChI Key: | VDJNVGKMWAUADR-UHFFFAOYSA-N |
Boiling Point: | 487.4 ℃ at 760 mmHg |
Purity: | 96 % |
Density: | 1.793 g/cm3 |
MDL: | MFCD08235101 |
LogP: | 1.57370 |
Publication Number | Title | Priority Date |
WO-2020157474-A1 | Orexin 1 receptor antagonists | 20190128 |
AU-2014205316-A1 | (Hetero) arylacetamide derivatives as antiretroviral agents | 20130109 |
AU-2014205316-B2 | (Hetero) arylacetamide derivatives as antiretroviral agents | 20130109 |
CA-2897004-A1 | (hetero) arylacetamide derivatives as antiretroviral agents | 20130109 |
CA-2897004-C | (hetero) arylacetamide derivatives as antiretroviral agents | 20130109 |
Complexity: | 247 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 257.964 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 257.964 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 79.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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