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methyl 3-bromo-1H-pyrazolo[4,3-b]pyridine-6-carboxylate - 97%, high purity , CAS No.1352398-55-0

COA

Grade & Purity:

≥97%

Cas Number: 1352398-55-0
Molecular Weight: 256.06
PubChem CID: 90039131

In stock

Item Number

M628459

Grouped product items
SKU	Size	Availability	Price
M628459-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$214.90
M628459-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$644.90
M628459-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,069.90

Basic Description

Synonyms	methyl 3-bromo-1H-pyrazolo[4,3-b]pyridine-6-carboxylate \| 1352398-55-0 \| Methyl3-bromo-1h-pyrazolo[4,3-b]pyridine-6-carboxylate \| SCHEMBL15567237 \| AKOS032960627 \| CS-0310201 \| E77435 \| EN300-8745951 \| 3-Bromo-1H-pyrazolo[4,3-b]pyridine-6-carboxylic acid
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 Aryl bromides Pyrazoles Methyl esters Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Pyrazolopyridine - Pyridine carboxylic acid or derivatives - Pyridine carboxylic acid - Aryl bromide - Aryl halide - Pyridine - Azole - Pyrazole - Heteroaromatic compound - Methyl ester - 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 3-bromo-2H-pyrazolo[4,3-b]pyridine-6-carboxylate
INCHI	InChI=1S/C8H6BrN3O2/c1-14-8(13)4-2-5-6(10-3-4)7(9)12-11-5/h2-3H,1H3,(H,11,12)
InChIKey	NAYWRQVHZWWJKK-UHFFFAOYSA-N
Smiles	COC(=O)C1=CC2=NNC(=C2N=C1)Br
Isomeric SMILES	COC(=O)C1=CC2=NNC(=C2N=C1)Br
PubChem CID	90039131
Molecular Weight	256.06

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	256.060 g/mol
XLogP3	1.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	254.964 Da
Monoisotopic Mass	254.964 Da
Topological Polar Surface Area	67.900 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	239.000
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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