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1,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid - 97%, high purity , CAS No.934106-78-2

COA

Grade & Purity:

≥97%

Cas Number: 934106-78-2
Molecular Weight: 191.19
MDL number: MFCD06805325
PubChem CID: 19616512

In stock

Item Number

D635193

Grouped product items
SKU	Size	Availability	Price	Qty
D635193-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$371.90
D635193-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,655.90

Basic Description

Synonyms	1,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid \| 934106-78-2 \| 1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid \| MFCD06805325 \| SCHEMBL15024702 \| 1,6-dimethyl-1H-4-carboxylic acid \| BBL038067 \| STK347031 \| AKOS000309111 \| AB90008 \| EN300-
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	Pyridinecarboxylic acids Methylpyridines Pyrazoles Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Pyridine carboxylic acid or derivatives - Pyridine carboxylic acid - Pyrazolopyridine - Methylpyridine - Pyridine - Azole - Pyrazole - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - 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	1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid
INCHI	InChI=1S/C9H9N3O2/c1-5-3-6(9(13)14)7-4-10-12(2)8(7)11-5/h3-4H,1-2H3,(H,13,14)
InChIKey	WWHVRJTUXJGXCO-UHFFFAOYSA-N
Smiles	CC1=CC(=C2C=NN(C2=N1)C)C(=O)O
Isomeric SMILES	CC1=CC(=C2C=NN(C2=N1)C)C(=O)O
PubChem CID	19616512
Molecular Weight	191.19

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	191.190 g/mol
XLogP3	0.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	191.069 Da
Monoisotopic Mass	191.069 Da
Topological Polar Surface Area	68.000 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	246.000
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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