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Ethyl 5-methyl-1H-pyrrolo[2，3-b]pyridine-2-carboxylate - ≥98%, high purity , CAS No.823217-70-5

COA

Grade & Purity:

≥98%

Cas Number: 823217-70-5
PubChem CID: 45096886

In stock

Item Number

E732446

Grouped product items
SKU	Size	Availability	Price
E732446-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$578.90
E732446-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$964.90
E732446-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,320.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyrrolopyridines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrrolopyridines
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Pyrrolopyridines
Alternative Parents	Pyrrole carboxylic acids and derivatives Methylpyridines Substituted pyrroles Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Pyrrolopyridine - Pyrrole-2-carboxylic acid or derivatives - Methylpyridine - Pyridine - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as pyrrolopyridines. These are compounds containing a pyrrolopyridine moiety, which consists of a pyrrole ring fused to a pyridine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.
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	ethyl 5-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
INCHI	InChI=1S/C11H12N2O2/c1-3-15-11(14)9-5-8-4-7(2)6-12-10(8)13-9/h4-6H,3H2,1-2H3,(H,12,13)
InChIKey	TZFQDBAWCODGHL-UHFFFAOYSA-N
Smiles	CCOC(=O)C1=CC2=C(N1)N=CC(=C2)C
Isomeric SMILES	CCOC(=O)C1=CC2=C(N1)N=CC(=C2)C
Alternate CAS	823217-70-5
PubChem CID	45096886

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	204.220 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	204.09 Da
Monoisotopic Mass	204.09 Da
Topological Polar Surface Area	55.000 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	245.000
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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