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5,6-Dichloronicotinic acid

CAT: 0804-HY-W007398Size: 25 gDry Ice: NoHazardous: No
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CAT#:0804-HY-W007398Size:25 g
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Description
5,6-Dichloronicotinic acid is a compound produced by the reaction of 6-Hydroxynicotinic acid with chlorine. 5,6-Dichloronicotinic acid can be used as diet pills[1].
CAS Number
41667-95-2
UNSPSC
12352200
Hazard Statement
H302
Target
Biochemical Assay Reagents
Type
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/5-6-dichloronicotinic-acid.html
Purity
99.97
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(C1=CC(Cl)=C(Cl)N=C1)O
Molecular Formula
C6H3Cl2NO2
Molecular Weight
192.00
Precautions
H302
References & Citations
[1]Chen Z, et al. Screening of a novel and thermostable nicotinate dehydrogenase-producing strain Bacillus paramycoides for efficient synthesis of 6-hydroxynicotinic acid. Biocatalysis and Biotransformation, 2024, 42 (5) : 620-628.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Biochemical Assay Reagents
Clinical Information
No Development Reported

Chemical Information

5,6-Dichloronicotinic acid

for treatment of Alzheimer's disease; structure in first source

CAS Number41667-95-2
PubChem CID247987
IUPAC Name5,6-dichloropyridine-3-carboxylic acid
Molecular FormulaC6H3Cl2NO2
Molecular Weight192.00
XLogP2
Topological Polar Surface Area50.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity165
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)
InChIKey
RNRLTTNKVLFZJS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5,6-Dichloronicotinic acid
CAS: 41667-95-2
CID: 247987
Formula: C6H3Cl2NO2
MW: 192.00
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight192.00
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass190.9540837
Monoisotopic Mass190.9540837
Topological Polar Surface Area50.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity165
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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