5,6-Dichloronicotinic acid - CAS 41667-95-2
Catalog: |
BB024929 |
Product Name: |
5,6-Dichloronicotinic acid |
CAS: |
41667-95-2 |
Synonyms: |
5,6-dichloropyridine-3-carboxylic acid |
IUPAC Name: | 5,6-dichloropyridine-3-carboxylic acid |
Description: | 5,6-Dichloronicotinic Acid functions as a multifunctional agent for Alzheimer treatment. |
Molecular Weight: | 192.00 |
Molecular Formula: | C6H3Cl2NO2 |
Canonical SMILES: | C1=C(C=NC(=C1Cl)Cl)C(=O)O |
InChI: | InChI=1S/C6H3Cl2NO2/c7-4-1-3(6(10)11)2-9-5(4)8/h1-2H,(H,10,11) |
InChI Key: | RNRLTTNKVLFZJS-UHFFFAOYSA-N |
Boiling Point: | 342.1 °C at 760 mmHg |
Density: | 1.612 g/cm3 |
Appearance: | White to off-white crystalline powder |
MDL: | MFCD00075181 |
LogP: | 2.08660 |
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 |
WO-2021175959-A1 | Process for the preparation of 5-chloro-3-alkylsulfanyl-pyridine-2-carboxylic acid amides and carboxylates | 20200304 |
WO-2021119554-A1 | Compositions and methods for potentiating immune activity | 20191212 |
WO-2021105399-A1 | Process for the preparation of 5-chloro-pyridine-2-carboxylic acids and carboxylates with 3-sulfur containing substituents | 20191127 |
WO-2021079962-A1 | Pharmaceutical composition for prevention and/or treatment of hearing loss | 20191024 |
JP-2021070688-A | Pharmaceutical composition for the prevention and / or treatment of deafness | 20191024 |
Complexity: | 165 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.9540837 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.9540837 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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