4-Methyl-2,2'-bipyridine - ≥98% , CAS No.56100-19-7

CAS: 56100-19-7 Cat. No.: M589487 분자식: C₁₁H₁₀N₂ 분자량: 170.21 EC 번호: 111-192-1

등급 & 순도 ≥98%

Synonyms

A870021 | 4-Methyl-[2,2']bipyridinyl | MFCD08062570 | AMY18771 | DTXSID60452061 | 4'-methyl-2,2'-bipyridine | 4-METHYL-2,2'-BIPYRIDINE | BS-52235 | J-400624 | SCHEMBL563123 | N12815 | 4-methyl-2-pyridin-2-ylpyridine | OHSRAWAUPZWNKY-UHFFFAOYSA-N | AKOS006

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

사양

동의어

A870021 | 4-Methyl-[2,2']bipyridinyl | MFCD08062570 | AMY18771 | DTXSID60452061 | 4'-methyl-2,2'-bipyridine | 4-METHYL-2,2'-BIPYRIDINE | BS-52235 | J-400624 | SCHEMBL563123 | N12815 | 4-methyl-2-pyridin-2-ylpyridine | OHSRAWAUPZWNKY-UHFFFAOYSA-N | AKOS006

사양 및 순도

≥98%

보관 조건

Store at 2-8°C,Desiccated

배송

Wet ice

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순수함

≥98%

이름과 식별자

정식 스마일

CC1=CC(=NC=C1)C2=CC=CC=N2

IUPAC Name

4-methyl-2-pyridin-2-ylpyridine

InChIKey

OHSRAWAUPZWNKY-UHFFFAOYSA-N

INCHI

1S/C11H10N2/c1-9-5-7-13-11(8-9)10-4-2-3-6-12-10/h2-8H,1H3

이성체 SMILES

CC1=CC(=NC=C1)C2=CC=CC=N2

분자량

170.21

Reaxy-Rn

637873

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=637873&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Pyridines and derivatives
      • Subclass Bipyridines and oligopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Pyridines and derivatives
• Subclass: Bipyridines and oligopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Bipyridines and oligopyridines
• Alternative Parents: Methylpyridines Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Bipyridine - Methylpyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as bipyridines and oligopyridines. These are organic compounds containing two pyridine rings linked to each other.
• External Descriptors: Not available

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

화학 및 물리적 특성

• 분자량: 170.210 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 170.084 Da
• Monoisotopic Mass: 170.084 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 158.000
• 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