4,4'-Bipyridine - analytical standard, anhydrous , CAS No.553-26-4

CAS: 553-26-4 Cat. No.: B105218 Formula: C₁₀H₈N₂ Molecular Weight: 156.18 Beilstein Registry Number: 23200 EC Number: 209-036-3

GRADE & PURITY Anhydrous Grade, Analytical standard

Synonyms

4,4'-Dipyridyl hydrate|4-(pyridin-4-yl)pyridine|4,4' bipyridine|4,4'-Dipyridine|4,4'-di-pyridine|4-(4-Pyridyl)pyridine|Methyltransferase, dopamine N-|4,4'-DIPYRIDYL-D8|.gamma.,.gamma.'-Bipyridyl|4,4'-bipyridine;4,4'-Dipyridyl|.gamma.,.gamma.'-Dipyridyl|4,4'-Bipyridine|4,4-Bipyridine|Opera_ID_1063|gamma,gamma'-Bipyridyl|4,4'-Bipyridyl|4,4-Bipyridyl|Dopamine Nmethyltransferase|4,4-Bipyridin|4, 4'-Dipyridine|4-pyridin-4-ylpyridine|4-pyridin-4-ylpyridin|4,4'-DIPYRIDYL|gamma,gamma'-Dipyridyl|4,4'-bpy

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

4,4'-Dipyridyl hydrate | 4-(pyridin-4-yl)pyridine | 4,4' bipyridine | 4,4'-Dipyridine | 4,4'-di-pyridine | 4-(4-Pyridyl)pyridine | Methyltransferase, dopamine N- | 4,4'-DIPYRIDYL-D8 | .gamma.,.gamma.'-Bipyridyl | 4,4'-bipyridine;4,4'-Dipyridyl | .gamma.,.gamma.'-Dipyridyl | 4,4'-Bipyridine | 4,4-Bipyridine | Opera_ID_1063 | gamma,gamma'-B Show more

Specifications & Purity

analytical standard, anhydrous

Storage

Room temperature

Shipped In

Normal

Grade

Analytical standard, Anhydrous Grade

Names and Identifiers

Pubchem Sid

504752063

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752063

Canonical Smiles

C1=CN=CC=C1C2=CC=NC=C2

IUPAC Name

4-pyridin-4-ylpyridine

InChIKey

MWVTWFVJZLCBMC-UHFFFAOYSA-N

INCHI

1S/C10H8N2/c1-5-11-6-2-9(1)10-3-7-12-8-4-10/h1-8H

Isomeric SMILES

C1=CN=CC=C1C2=CC=NC=C2

RTECS

DW1760000

UN Number

2811

Molecular Weight

156.18

Beilstein

23200

Reaxy-Rn

113176

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=113176&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Bipyridines and oligopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Bipyridines and oligopyridines
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Bipyridine - 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 bipyridines and oligopyridines. These are organic compounds containing two pyridine rings linked to each other.
• External Descriptors: bipyridine

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)

IDO1 Tchem Indoleamine 2,3-dioxygenase (6650 Activities)

Discover Target: IDO1

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

POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

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

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

LMNA Tbio Prelamin-A/C (36751 Activities)

Discover Target: LMNA

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

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

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Associated Targets(non-human)

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

Discover Target: Ppard

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

Mapt Microtubule-associated protein tau (6 Activities)

Discover Target: Mapt

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

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Hygroscopic
• Boil Point(°C): 305°C
• Melt Point(°C): 109.0—112.0°C
• Molecular Weight: 156.180 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 156.069 Da
• Monoisotopic Mass: 156.069 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 108.000
• 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