2-Benzoylpyridine - ≥99%(GC) , CAS No.91-02-1

CAS: 91-02-1 Cat. No.: B152134 Molecular Weight: 183.21 Beilstein Registry Number: 21330 EC Number: 202-034-3

GRADE & PURITY ≥99%(GC)

Synonyms

NCGC00245935-01 | SMR000312172 | F0850-6779 | benzoylpyridine | HMS2600E12 | phenyl(2-pyridyl)methanone | Phenyl(pyridin-2-yl)methanone (2-Benzoylpyridine) | phenyl-2-pyridylketone | Q63393150 | STK397395 | 2-Benzoylpyridine, >=99% | A843701 | SY048296 |

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

NCGC00245935-01 | SMR000312172 | F0850-6779 | benzoylpyridine | HMS2600E12 | phenyl(2-pyridyl)methanone | Phenyl(pyridin-2-yl)methanone (2-Benzoylpyridine) | phenyl-2-pyridylketone | Q63393150 | STK397395 | 2-Benzoylpyridine, >=99% | A843701 | SY048296 |

Specifications & Purity

≥99%(GC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥99%(GC)

Names and Identifiers

• Pubchem Sid: 488180256
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180256
• Canonical Smiles: C1=CC=C(C=C1)C(=O)C2=CC=CC=N2
• IUPAC Name: phenyl(pyridin-2-yl)methanone
• InChIKey: GCSHUYKULREZSJ-UHFFFAOYSA-N
• INCHI: 1S/C12H9NO/c14-12(10-6-2-1-3-7-10)11-8-4-5-9-13-11/h1-9H
• Isomeric SMILES: C1=CC=C(C=C1)C(=O)C2=CC=CC=N2
• RTECS: OB6400000
• Molecular Weight: 183.21
• Beilstein: 21330
• Reaxy-Rn: 120283
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=120283&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Aryl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Aryl-phenylketones
• Alternative Parents: Pyridinecarboxylic acids and derivatives Benzoyl derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl-phenylketone - Pyridine carboxylic acid or derivatives - Benzoyl - Benzenoid - Pyridine - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group.
• 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)

GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

Discover Target: GNAS

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

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: air sensitive
• Flash Point(°C): 150 °C
• Boil Point(°C): 317 °C
• Melt Point(°C): 44 °C
• Molecular Weight: 183.210 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 183.068 Da
• Monoisotopic Mass: 183.068 Da
• Topological Polar Surface Area: 30.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 196.000
• 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

References

1. Conghao Liu, Yang Yang, Runzhi Li, Xiaoqing Zhang, Dionisio Zaldivar Silva, Yuefeng Zhao, Ruizhuo Ouyang, Yuqing Miao, Baolin Liu, Shuang Zhou.  (2025)  Enhanced Anticancer Activity of Novel Bi (III)-Thiosemicarbazone Complexes Against Lung Cancer.  APPLIED ORGANOMETALLIC CHEMISTRY,  39  (7): (e70249).  [PMID:] [10.1002/aoc.70249]

2. Ming Jiang, Xueyu Man, Moya Yang, Qiwei Yan, Haijuan Wu, Feng Yang, Youhuan Wei.  (2026)  Benzothiazole hydrazone Cu(II) complex for therapeutic anticancer enhancement via PARP-1 inhibition.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:] [10.1016/j.ijbiomac.2026.151573]