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5-(Trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde - 97%, high purity , CAS No.1135283-53-2

COA

Grade & Purity:

≥97%

Cas Number: 1135283-53-2
Molecular Weight: 214.14
MDL number: MFCD11841013
PubChem CID: 36995503

In stock

Item Number

T166014

Grouped product items
SKU	Size	Availability	Price
T166014-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$51.90
T166014-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$196.90
T166014-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$605.90

Discover 5-(Trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde by Aladdin Scientific in 97% for only $51.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	J-516438 \| KC-0769 \| 1135283-53-2 \| DTXSID30653220 \| SCHEMBL1714153 \| SB14413 \| 5-(Trifluoromethyl)-7-azaindole-3-carboxaldehyde \| MFCD11841013 \| 5-(Trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde, AldrichCPR \| AMY24604 \| AKOS005073222 \| A894352
Specifications & Purity	≥97%
Storage Temp	Room temperature
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	Aryl-aldehydes Substituted pyrroles Pyridines and derivatives Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Pyrrolopyridine - Aryl-aldehyde - Pyridine - Substituted pyrrole - Pyrrole - Vinylogous amide - Heteroaromatic compound - Azacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aldehyde - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Alkyl halide - 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	5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
INCHI	InChI=1S/C9H5F3N2O/c10-9(11,12)6-1-7-5(4-15)2-13-8(7)14-3-6/h1-4H,(H,13,14)
InChIKey	KZSQRUZLWCOUOV-UHFFFAOYSA-N
Smiles	C1=C(C=NC2=C1C(=CN2)C=O)C(F)(F)F
Isomeric SMILES	C1=C(C=NC2=C1C(=CN2)C=O)C(F)(F)F
WGK Germany	3
PubChem CID	36995503
Molecular Weight	214.14

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	214.140 g/mol
XLogP3	1.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	214.035 Da
Monoisotopic Mass	214.035 Da
Topological Polar Surface Area	45.800 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	256.000
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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