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6-methoxy-3-nitro-pyridine-2-carbonitrile - 97%, high purity , CAS No.950778-43-5

COA

Grade & Purity:

≥97%

Cas Number: 950778-43-5
Molecular Weight: 179.13
PubChem CID: 17759227

In stock

Item Number

M635301

Grouped product items
SKU	Size	Availability	Price
M635301-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$300.90
M635301-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,211.90
M635301-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,421.90

Basic Description

Synonyms	6-methoxy-3-nitropyridine-2-carbonitrile \| 950778-43-5 \| 6-methoxy-3-nitropicolinonitrile \| 6-Methoxy-3-nitro-pyridine-2-carbonitrile \| SCHEMBL621047 \| AKOS006287114 \| PB43946 \| CS-0309553 \| F13918
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic 1,3-dipolar compounds
  - Class Allyl-type 1,3-dipolar organic compounds
    - Subclass Organic nitro compounds
      - Level5 C-nitro compounds
        Level6 Nitroaromatic compounds

Kingdom	Organic compounds
Superclass	Organic 1,3-dipolar compounds
Class	Allyl-type 1,3-dipolar organic compounds
Subclass	Organic nitro compounds
Intermediate Tree Nodes	C-nitro compounds
Direct Parent	Nitroaromatic compounds
Alternative Parents	Alkyl aryl ethers Pyridines and derivatives Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Nitriles Azacyclic compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Nitroaromatic compound - Alkyl aryl ether - Pyridine - Heteroaromatic compound - Ether - Carbonitrile - Nitrile - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Azacycle - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Organic salt - Organonitrogen compound - Cyanide - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as nitroaromatic compounds. These are c-nitro compounds where the nitro group is C-substituted with an aromatic group.
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	6-methoxy-3-nitropyridine-2-carbonitrile
INCHI	InChI=1S/C7H5N3O3/c1-13-7-3-2-6(10(11)12)5(4-8)9-7/h2-3H,1H3
InChIKey	YLBYQWJIFUMVLU-UHFFFAOYSA-N
Smiles	COC1=NC(=C(C=C1)[N+](=O)[O-])C#N
Isomeric SMILES	COC1=NC(=C(C=C1)[N+](=O)[O-])C#N
PubChem CID	17759227
Molecular Weight	179.13

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	179.130 g/mol
XLogP3	1.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	179.033 Da
Monoisotopic Mass	179.033 Da
Topological Polar Surface Area	91.700 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	241.000
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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