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3,5-Dichloropyridine

CAT: 0804-HY-W015627-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0804-HY-W015627-01Size:25 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
3,5-dichloropyridine is a drug intermediate that can be used to synthesize metal-organic framework (MOF) materials and P2X7 receptor antagonists[1][2].
CAS Number
2457-47-8
UNSPSC
12352200
Hazard Statement
H302, H315, H318, H335
Target
Drug Intermediate
Type
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Cancer; Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/3-5-dichloropyridine.html
Purity
99.97
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
C1=C(Cl)C=NC=C1Cl
Molecular Formula
C5H3Cl2N
Molecular Weight
147.99
Precautions
H302, H315, H318, H335
References & Citations
[1]Etaiw Sel-D, El-bendary MM. Structure and applications of metal-organic framework based on cyanide and 3,5-dichloropyridine. Spectrochim Acta A Mol Biomol Spectrosc. 2013 Jun;110:304-10. |[2]Lee WG, et al. Structure-activity relationships and optimization of 3,5-dichloropyridine derivatives as novel P2X (7) receptor antagonists. J Med Chem. 2012 Apr 26;55 (8) :3687-98.
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

3,5-Dichloropyridine
CAS Number2457-47-8
PubChem CID17153
IUPAC Name3,5-dichloropyridine
Molecular FormulaC5H3Cl2N
Molecular Weight147.99
XLogP2.6
Topological Polar Surface Area12.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity68
SMILES
C1=C(C=NC=C1Cl)Cl
InChI
InChI=1S/C5H3Cl2N/c6-4-1-5(7)3-8-2-4/h1-3H
InChIKey
WPGHPGAUFIJVJF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,5-Dichloropyridine
CAS: 2457-47-8
CID: 17153
Formula: C5H3Cl2N
MW: 147.99
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight147.99
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass146.9642545
Monoisotopic Mass146.9642545
Topological Polar Surface Area12.9 Ų
Heavy Atom Count8
Formal Charge0
Complexity68.8
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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