2,6-Dichloro-5-fluoropyridine-3-carboxylic acid - CAS 82671-06-5
Catalog: |
BB036876 |
Product Name: |
2,6-Dichloro-5-fluoropyridine-3-carboxylic acid |
CAS: |
82671-06-5 |
Synonyms: |
2,6-dichloro-5-fluoropyridine-3-carboxylic acid |
IUPAC Name: | 2,6-dichloro-5-fluoropyridine-3-carboxylic acid |
Description: | 2,6-Dichloro-5-fluoropyridine-3-carboxylic acid (CAS# 82671-06-5) is a useful reagent for the modulation of protein-protein interactions to learn about the mechanisms in amyloid assembly. |
Molecular Weight: | 209.99 |
Molecular Formula: | C6H2Cl2FNO2 |
Canonical SMILES: | C1=C(C(=NC(=C1F)Cl)Cl)C(=O)O |
InChI: | InChI=1S/C6H2Cl2FNO2/c7-4-2(6(11)12)1-3(9)5(8)10-4/h1H,(H,11,12) |
InChI Key: | LTDGKGCHRNNCAC-UHFFFAOYSA-N |
Boiling Point: | 245.3 ℃ at 760 mmHg |
Melting Point: | 153-158 ℃ |
Purity: | 95 % |
Density: | 1.577 g/cm3 |
Appearance: | Light yellow to beige fine crystalline powder |
MDL: | MFCD00799517 |
LogP: | 2.22570 |
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-112142735-A | Condensed cyanopyridine compound, preparation method and application | 20200409 |
CN-112142735-B | Condensed cyanopyridine compound, preparation method and application | 20200409 |
US-2021300920-A1 | KRAS Mutant Protein Inhibitors | 20200317 |
WO-2021185233-A1 | Kras mutant protein inhibitors | 20200317 |
WO-2021175199-A1 | Aromatic heterocyclic compound and application thereof in drug | 20200302 |
PMID | Publication Date | Title | Journal |
22807872 | 20120701 | 3-Diethyl-carbamoyl-2',4'-difluoro-biphenyl-4-yl 2,6-dichloro-5-fluoro-pyridine-3-carboxyl-ate | Acta crystallographica. Section E, Structure reports online |
16674090 | 20060512 | A practical synthesis of 2-((1H-pyrrolo[2,3-b]pyridine-4-yl)methylamino)-5- fluoronicotinic acid | The Journal of organic chemistry |
Complexity: | 192 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 208.9446619 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 208.9446619 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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