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5-(m-Tolyl)-5H-pyrrolo[3,2-c:4,5-c']dipyridine - 95%, high purity , CAS No.1014403-09-8

COA

Grade & Purity:

≥95%

Cas Number: 1014403-09-8
Molecular Weight: 259.31
PubChem CID: 59546683
PubChem SID: 504771751

In stock

Item Number

M158776

Grouped product items
SKU	Size	Availability	Price
M158776-10mg	10mg	3	$40.90
M158776-25mg	25mg	3	$78.90
M158776-100mg	100mg	2	$242.90

View related series

azole (525) Five-Membered Heterocyclic Compounds (2064)

Basic Description

Synonyms	T3281 \| SCHEMBL13098367 \| 1014403-09-8 \| D92687 \| 8-(3-methylphenyl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene \| 5-(m-Tolyl)-5H-pyrrolo[3,2-c:4,5-c']dipyridine \| MFCD28976174
Specifications & Purity	≥95%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyrroles
    - Subclass Substituted pyrroles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrroles
Subclass	Substituted pyrroles
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpyrroles
Alternative Parents	Pyrrolopyridines Toluenes Pyridines and derivatives Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	1-phenylpyrrole - Pyrrolopyridine - Toluene - Benzenoid - Pyridine - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond.
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

Pubchem Sid	504771751
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504771751
IUPAC Name	8-(3-methylphenyl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
INCHI	InChI=1S/C17H13N3/c1-12-3-2-4-13(9-12)20-16-5-7-18-10-14(16)15-11-19-8-6-17(15)20/h2-11H,1H3
InChIKey	WAQDNMLJAYQJRN-UHFFFAOYSA-N
Smiles	CC1=CC(=CC=C1)N2C3=C(C=NC=C3)C4=C2C=CN=C4
Isomeric SMILES	CC1=CC(=CC=C1)N2C3=C(C=NC=C3)C4=C2C=CN=C4
Molecular Weight	259.31
Reaxy-Rn	43217280
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=43217280&ln=

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

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
J2326412	Certificate of Analysis	Oct 13, 2023	M158776
J2326404	Certificate of Analysis	Oct 13, 2023	M158776
J2326416	Certificate of Analysis	Oct 13, 2023	M158776
J2326413	Certificate of Analysis	Oct 13, 2023	M158776
J2326415	Certificate of Analysis	Oct 13, 2023	M158776
J2326414	Certificate of Analysis	Oct 13, 2023	M158776

Chemical and Physical Properties

Molecular Weight	259.300 g/mol
XLogP3	3.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	259.111 Da
Monoisotopic Mass	259.111 Da
Topological Polar Surface Area	30.700 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	323.000
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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