Skip to the beginning of the images gallery

2,6-Dichloro-5-fluoro-N-isopropylnicotinamide - 95%, high purity , CAS No.680217-86-1

COA

Grade & Purity:

≥95%

Cas Number: 680217-86-1
Molecular Weight: 251.08
MDL number: MFCD01765488
PubChem CID: 2782033
PubChem SID: 504762060

In stock

Item Number

D300461

Grouped product items
SKU	Size	Availability	Price
D300461-10mg	10mg	3	$28.90
D300461-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$76.90
D300461-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$172.90

Basic Description

Synonyms	2,6-Dichloro-5-Fluoro-N-Isopropylnicotinamide \| 680217-86-1 \| 2,6-dichloro-5-fluoro-N-propan-2-ylpyridine-3-carboxamide \| DTXSID90381911 \| MFCD01765488 \| AKOS027383291 \| SB55110 \| PS-10068 \| CS-0319582 \| FT-0644840 \| A835977
Specifications & Purity	≥95%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyridines and derivatives
    - Subclass Pyridinecarboxylic acids and derivatives
      - Level5 Pyridinecarboxamides
        Level6 Nicotinamides

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridines and derivatives
Subclass	Pyridinecarboxylic acids and derivatives
Intermediate Tree Nodes	Pyridinecarboxamides
Direct Parent	Nicotinamides
Alternative Parents	Polyhalopyridines 2-halopyridines Aryl fluorides Aryl chlorides Vinylogous halides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Nicotinamide - Polyhalopyridine - 2-halopyridine - Aryl chloride - Aryl fluoride - Aryl halide - Heteroaromatic compound - Vinylogous halide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as nicotinamides. These are heterocyclic aromatic compounds containing a pyridine ring substituted at position 3 by a carboxamide group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	504762060
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504762060
IUPAC Name	2,6-dichloro-5-fluoro-N-propan-2-ylpyridine-3-carboxamide
INCHI	InChI=1S/C9H9Cl2FN2O/c1-4(2)13-9(15)5-3-6(12)8(11)14-7(5)10/h3-4H,1-2H3,(H,13,15)
InChIKey	BWDNIEVARMJBPY-UHFFFAOYSA-N
Smiles	CC(C)NC(=O)C1=CC(=C(N=C1Cl)Cl)F
Isomeric SMILES	CC(C)NC(=O)C1=CC(=C(N=C1Cl)Cl)F
PubChem CID	2782033
Molecular Weight	251.08

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

1 results found

Lot Number	Certificate Type	Date	Item
H2131226	Certificate of Analysis	Jun 15, 2024	D300461

Chemical and Physical Properties

Melt Point(°C)	159 °C
Molecular Weight	251.080 g/mol
XLogP3	3.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	250.008 Da
Monoisotopic Mass	250.008 Da
Topological Polar Surface Area	42.000 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	240.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration