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3-methyl-4-nitro-1H-pyrrolo[2,3-b]pyridine - 97%, high purity , CAS No.1363380-52-2

COA

Grade & Purity:

≥97%

Cas Number: 1363380-52-2
Molecular Weight: 177.16
MDL number: MFCD22566177
PubChem CID: 72207904

In stock

Item Number

M628577

Grouped product items
SKU	Size	Availability	Price
M628577-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$104.90
M628577-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$209.90
M628577-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$348.90
M628577-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,737.90

Basic Description

Synonyms	P13298 \| 1363380-52-2 \| SB13213 \| MFCD22566177 \| 3-Methyl-4-nitro-1H-pyrrolo[2,3-b]pyridine \| CS-0051257 \| DTXSID001268198 \| 3-METHYL-4-NITRO-7-AZAINDOLE \| AS-51693 \| AKOS025403509 \| PB36883
Specifications & Purity	≥97%
Shipped In	Normal

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	Nitroaromatic compounds Substituted pyrroles Pyridines and derivatives Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organonitrogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Pyrrolopyridine - Nitroaromatic compound - Pyridine - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic salt - Organic zwitterion - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - 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	3-methyl-4-nitro-1H-pyrrolo[2,3-b]pyridine
INCHI	InChI=1S/C8H7N3O2/c1-5-4-10-8-7(5)6(11(12)13)2-3-9-8/h2-4H,1H3,(H,9,10)
InChIKey	VSUOHIJYKFLZLY-UHFFFAOYSA-N
Smiles	CC1=CNC2=NC=CC(=C12)[N+](=O)[O-]
Isomeric SMILES	CC1=CNC2=NC=CC(=C12)[N+](=O)[O-]
Alternate CAS	1363380-52-2
PubChem CID	72207904
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	1.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	177.054 Da
Monoisotopic Mass	177.054 Da
Topological Polar Surface Area	74.500 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	216.000
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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