4-Bromo-6-chloronicotinic Acid - CAS 1256834-13-5
Catalog: |
BB070861 |
Product Name: |
4-Bromo-6-chloronicotinic Acid |
CAS: |
1256834-13-5 |
Synonyms: |
4-Bromo-6-chloro-3-pyridinecarboxylic Acid |
IUPAC Name: | 4-bromo-6-chloropyridine-3-carboxylic acid |
Description: | 4-Bromo-6-chloronicotinic Acid may be useful in the preparation of naphthyridine derivatives and related heterocycles for treatment of BAF-mediated disorders such as viral infections and cancer. |
Molecular Weight: | 236.45 |
Molecular Formula: | C6H3BrClNO2 |
Canonical SMILES: | C1=C(C(=CN=C1Cl)C(=O)O)Br |
InChI: | InChI=1S/C6H3BrClNO2/c7-4-1-5(8)9-2-3(4)6(10)11/h1-2H,(H,10,11) |
InChI Key: | FMQKQSCHFALFKI-UHFFFAOYSA-N |
Melting Point: | >148.3°C (dec.) |
Solubility: | DMSO (Slightly), Methanol (Slightly) |
Appearance: | White to Off-White Solid |
Storage: | 4°C |
References: | Ruppel, S. K., et al. PCT Int. Appl., 471pp. (2020). |
Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 234.90357 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 234.90357 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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