3-Phenylpyridine - ≥97% , CAS No.1008-88-4

CAS: 1008-88-4 Cat. No.: P111392 Molecular Weight: 155.2 Beilstein Registry Number: 110400 EC Number: 213-762-6

GRADE & PURITY ≥97%

Synonyms

EINECS 213-762-6 | ss-Phenylpyridine | 3-(phenyl)pyridine | m-Phenylpyridine;3-Azabiphenyl;Phenylpyridine | J-800107 | 3-phenylpyridine, 33 | EDZ6KB7JVC | EN300-21220 | FT-0616353 | InChI=1/C11H9N/c1-2-5-10(6-3-1)11-7-4-8-12-9-11/h1-9 | Q27277127 | UNII-E

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

3-Phenylpyridine was employed as axial ligand to investigate the rate of olefin oxygenation catalyzed by synthetic metalloporphyrins.

3-Phenylpyridine forms complexes with gold(III), palladium(II) and platinum(II) chloride and their 1H, 13C and 15N nuclear magnetic resonance studies have been reported. Interactions of 3-phenylpyridine with copper surface has been investigated by Surface-enhanced Raman scattering (SERS) spectroscopy and cyclic voltammetry. It is a useful synthetic intermediate.

Specifications

Synonyms

EINECS 213-762-6 | ss-Phenylpyridine | 3-(phenyl)pyridine | m-Phenylpyridine;3-Azabiphenyl;Phenylpyridine | J-800107 | 3-phenylpyridine, 33 | EDZ6KB7JVC | EN300-21220 | FT-0616353 | InChI=1/C11H9N/c1-2-5-10(6-3-1)11-7-4-8-12-9-11/h1-9 | Q27277127 | UNII-E

Specifications & Purity

≥97%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488181914
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181914
• Canonical Smiles: C1=CC=C(C=C1)C2=CN=CC=C2
• IUPAC Name: 3-phenylpyridine
• InChIKey: HJKGBRPNSJADMB-UHFFFAOYSA-N
• INCHI: 1S/C11H9N/c1-2-5-10(6-3-1)11-7-4-8-12-9-11/h1-9H
• Isomeric SMILES: C1=CC=C(C=C1)C2=CN=CC=C2
• WGK Germany: 3
• Molecular Weight: 155.2
• Beilstein: 110400
• Reaxy-Rn: 110400
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=110400&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Phenylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyridines
• Alternative Parents: Benzene and substituted derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 3-phenylpyridine - Benzenoid - Monocyclic benzene moiety - 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 phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
• 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

Associated Targets(Human)

HT-29 (80576 Activities)

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MCF7 (126967 Activities)

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HEK293 (82097 Activities)

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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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in chloroform, dichloromethane and ethyl acetate.
• Sensitivity: air sensitive
• Refractive Index: 1.62
• Flash Point(°F): 110 °C
• Flash Point(°C): 110°C
• Boil Point(°C): 274°C
• Molecular Weight: 155.200 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 155.073 Da
• Monoisotopic Mass: 155.073 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 127.000
• 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