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4-chloro-3-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine - 97%, high purity , CAS No.1256802-09-1

COA

Grade & Purity:

≥97%

Cas Number: 1256802-09-1
Molecular Weight: 221.57
MDL number: MFCD18256950
PubChem CID: 67501081

In stock

Item Number

C627826

Grouped product items
SKU	Size	Availability	Price
C627826-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$107.90
C627826-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$167.90
C627826-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$274.90
C627826-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$548.90

Basic Description

Synonyms	4-Chloro-3-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine \| 1256802-09-1 \| SCHEMBL2693973 \| MFCD18256950 \| BS-53176 \| D74215
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyrazolopyridines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrazolopyridines
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Pyrazolopyridines
Alternative Parents	Pyridines and derivatives Pyrazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organochlorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Pyrazolopyridine - Pyridine - Heteroaromatic compound - Pyrazole - Azole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as pyrazolopyridines. These are compounds containing a pyrazolopyridine skeleton, which consists of a pyrazole fused to a pyridine. Pyrazole is 5-membered ring consisting of three carbon atoms and two adjacent nitrogen centers. Pyridine is a 6-membered ring with four carbon and one nitrogen atoms.
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

IUPAC Name	4-chloro-3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine
INCHI	InChI=1S/C7H3ClF3N3/c8-3-1-2-12-6-4(3)5(13-14-6)7(9,10)11/h1-2H,(H,12,13,14)
InChIKey	BBPZAVPGVHWLEG-UHFFFAOYSA-N
Smiles	C1=C(C2=C(NN=C2N=C1)C(F)(F)F)Cl
Isomeric SMILES	C1=C(C2=C(NN=C2N=C1)C(F)(F)F)Cl
PubChem CID	67501081
Molecular Weight	221.57

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	221.570 g/mol
XLogP3	2.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	220.997 Da
Monoisotopic Mass	220.997 Da
Topological Polar Surface Area	41.600 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	223.000
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

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