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methyl 1H-pyrazolo[3,4-b]pyridine-6-carboxylate - 97%, high purity , CAS No.1256786-55-6

COA

Grade & Purity:

≥97%

Cas Number: 1256786-55-6
Molecular Weight: 177.16
EC Number: 881-513-4
MDL number: MFCD18260538
PubChem CID: 92135507

In stock

Item Number

M627819

Grouped product items
SKU	Size	Availability	Price
M627819-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$302.90
M627819-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$484.90
M627819-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$807.90
M627819-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,455.90

Basic Description

Synonyms	Methyl1H-pyrazolo[3,4-b]pyridine-6-carboxylate \| CS-0049246 \| AS-51279 \| MFCD18260538 \| SB12625 \| P12297 \| AKOS025403413 \| 1256786-55-6 \| Methyl 1H-pyrazolo[3,4-b]pyridine-6-carboxylate
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 Pyrazoles Methyl esters Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Pyrazolopyridine - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Pyridine - Azole - Pyrazole - Methyl ester - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - 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	methyl 1H-pyrazolo[3,4-b]pyridine-6-carboxylate
INCHI	InChI=1S/C8H7N3O2/c1-13-8(12)6-3-2-5-4-9-11-7(5)10-6/h2-4H,1H3,(H,9,10,11)
InChIKey	ZLXUPRAKJJCQEW-UHFFFAOYSA-N
Smiles	COC(=O)C1=NC2=C(C=C1)C=NN2
Isomeric SMILES	COC(=O)C1=NC2=C(C=C1)C=NN2
Alternate CAS	1256786-55-6
PubChem CID	92135507
Molecular Weight	177.16

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	177.160 g/mol
XLogP3	1.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	177.054 Da
Monoisotopic Mass	177.054 Da
Topological Polar Surface Area	67.900 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	210.000
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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