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methyl 5-bromo-1-methyl-1H-pyrazolo[3,4-b]pyridine-3-carboxylate - 97%, high purity , CAS No.916326-80-2

COA

Grade & Purity:

≥97%

Cas Number: 916326-80-2
Molecular Weight: 270.09
MDL number: MFCD17016022
PubChem CID: 57581125

In stock

Item Number

M635118

Grouped product items
SKU	Size	Availability	Price
M635118-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$104.90
M635118-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$209.90
M635118-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$314.90
M635118-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,383.90

Basic Description

Synonyms	916326-80-2 \| METHYL 5-BROMO-1-METHYL-1H-PYRAZOLO[3,4-B]PYRIDINE-3-CARBOXYLATE \| methyl 5-bromo-1-methylpyrazolo[3,4-b]pyridine-3-carboxylate \| Methyl 5-bromo-1-methyl-1H-pyrazolo-[3,4-b]pyridine-3-carboxylate \| 5-bromo-1-methyl-1H-pyrazolo[3,4-b]pyridine
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	Pyrazole carboxylic acids and derivatives Pyridines and derivatives Aryl bromides Methyl esters Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Pyrazolopyridine - Pyrazole-5-carboxylic acid or derivatives - Pyrazole-3-carboxylic acid or derivatives - Aryl bromide - Aryl halide - Pyridine - Azole - Heteroaromatic compound - Methyl ester - Pyrazole - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen 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	methyl 5-bromo-1-methylpyrazolo[3,4-b]pyridine-3-carboxylate
INCHI	InChI=1S/C9H8BrN3O2/c1-13-8-6(3-5(10)4-11-8)7(12-13)9(14)15-2/h3-4H,1-2H3
InChIKey	GGILHBFZRKBNSR-UHFFFAOYSA-N
Smiles	CN1C2=C(C=C(C=N2)Br)C(=N1)C(=O)OC
Isomeric SMILES	CN1C2=C(C=C(C=N2)Br)C(=N1)C(=O)OC
PubChem CID	57581125
Molecular Weight	270.09

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	270.080 g/mol
XLogP3	1.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	268.98 Da
Monoisotopic Mass	268.98 Da
Topological Polar Surface Area	57.000 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	264.000
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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