2-Methylpyridine(NSC 3409) - Standard for GC, ≥99.5%(GC) , CAS No.109-06-8

CAS: 109-06-8 Cat. No.: M108695 Formula: C₆H₇N Molecular Weight: 93.13 Beilstein Registry Number: 104581 EC Number: 203-643-7

GRADE & PURITY Standard for GC, ≥99.5%(GC)

Synonyms

Z104472800 | DTXCID001899 | RCRA waste no. U191 | .alpha.-Methylpyridine | EINECS 203-643-7 | Picoline, .alpha. | EC 203-643-7 | Picoline | PICOLINE, ALPHA | F0001-0192 | Pyridine, 2-methyl- | 2-Mepy | BCP26524 | DTXSID9021899 | Pyridine-2,3,4,5-d4,6-(met

Storage

Protected from light,Room temperature,Argon charged

Shipped In

FedEx DG Service

Overview

2-Picoline (2-Methylpyridine) was used to study the electron and proton transfer reactions of lumiflavin using Fourier transform ion cyclotron resonance mass spectrometry.

2-Picoline was used in the synthetic pathway for the production of dearomatized, allylated and C-H bond activated pyridine derivatives.

Specifications

Synonyms

Z104472800 | DTXCID001899 | RCRA waste no. U191 | .alpha.-Methylpyridine | EINECS 203-643-7 | Picoline, .alpha. | EC 203-643-7 | Picoline | PICOLINE, ALPHA | F0001-0192 | Pyridine, 2-methyl- | 2-Mepy | BCP26524 | DTXSID9021899 | Pyridine-2,3,4,5-d4,6-(met

Specifications & Purity

Standard for GC, ≥99.5%(GC)

Storage

Protected from light,Room temperature,Argon charged

Shipped In

FedEx DG Service

Grade

Standard for GC

Purity

≥99.5%(GC)

Names and Identifiers

Pubchem Sid

508808440

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508808440

Canonical Smiles

CC1=CC=CC=N1

IUPAC Name

2-methylpyridine

InChIKey

BSKHPKMHTQYZBB-UHFFFAOYSA-N

INCHI

1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3

Isomeric SMILES

CC1=CC=CC=N1

WGK Germany

1

RTECS

TJ4900000

UN Number

2313

Packing Group

III

Molecular Weight

93.13

Beilstein

104581

Reaxy-Rn

104581

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=104581&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Methylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Methylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Methylpyridines
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Methylpyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as methylpyridines. These are organic compounds containing a pyridine ring substituted at one or more positions by a methyl group.
• External Descriptors: methylpyridine

Data sources

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

Associated Targets(Human)

TBXAS1 Tchem Thromboxane-A synthase (3355 Activities)

Discover Target: TBXAS1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Chrna3 Neuronal acetylcholine receptor (756 Activities)

Discover Target: Chrna3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: It is miscible with water and soluble in most organic solvents.
• Sensitivity: Light sensitive；Air sensitive
• Refractive Index: 1.501
• Flash Point(°F): 77℉
• Flash Point(°C): 25℃
• Boil Point(°C): 128-129°C
• Melt Point(°C): -70°C
• Molecular Weight: 93.130 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 93.0578 Da
• Monoisotopic Mass: 93.0578 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 52.100
• 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