3-Pyridinecarboxaldehyde - ≥98% , CAS No.500-22-1

CAS: 500-22-1 Cat. No.: P106877 Molecular Weight: 107.11 Beilstein Registry Number: 105343 EC Number: 207-900-4

GRADE & PURITY ≥98%

Synonyms

3-Pyridinecarboxaldehyde, 98% | CGA300407 MB 10 | FT-0600445 | pyridine-3 carbaldehyde | 3-Pyridine carboxaldehyde | FT-0674183 | pyridin-3-aldehyde | pyridine-3 -carboxaldehyde | 3-pyridine carbaldehyde | beta-Pyridinecarbonaldehyde | Pyridine-3-carboxal

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

3-Pyridinecarboxaldehyde, 98% | CGA300407 MB 10 | FT-0600445 | pyridine-3 carbaldehyde | 3-Pyridine carboxaldehyde | FT-0674183 | pyridin-3-aldehyde | pyridine-3 -carboxaldehyde | 3-pyridine carbaldehyde | beta-Pyridinecarbonaldehyde | Pyridine-3-carboxal

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 508812920
• Canonical Smiles: C1=CC(=CN=C1)C=O
• IUPAC Name: pyridine-3-carbaldehyde
• InChIKey: QJZUKDFHGGYHMC-UHFFFAOYSA-N
• INCHI: 1S/C6H5NO/c8-5-6-2-1-3-7-4-6/h1-5H
• Isomeric SMILES: C1=CC(=CN=C1)C=O
• WGK Germany: 3
• RTECS: QS2980000
• UN Number: 1989
• Packing Group: III
• Molecular Weight: 107.11
• Beilstein: 105343
• Reaxy-Rn: 105343
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=105343&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Pyridine carboxaldehydes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Pyridine carboxaldehydes
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridine carboxaldehydes
• Alternative Parents: Aryl-aldehydes Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 3-pyridine carboxaldehyde - Aryl-aldehyde - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aldehyde - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridine carboxaldehydes. These are aromatic compounds containing a pyridine ring which bears a carboxaldehyde group.
• External Descriptors: a small molecule

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)

TYR Tclin Tyrosinase (717 Activities)

Discover Target: TYR

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

SLC6A1 Tclin GABA transporter 1 (308 Activities)

Discover Target: SLC6A1

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

AOX1 Tchem Aldehyde oxidase (429 Activities)

Discover Target: AOX1

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

Associated Targets(non-human)

Staphylococcus aureus (210822 Activities)

Explore this target

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

Meloidogyne incognita (862 Activities)

Explore this target

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

norA Quinolone resistance protein norA (2171 Activities)

Discover Target: norA

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

Gabrp GABA-A receptor; anion channel (5731 Activities)

Discover Target: Gabrp

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Heat, Light & Air sensitive.
• Refractive Index: 1.548-1.55
• Flash Point(°F): 95 °F
• Flash Point(°C): 84℃
• Boil Point(°C): 95-97°C
• Molecular Weight: 107.110 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 107.037 Da
• Monoisotopic Mass: 107.037 Da
• Topological Polar Surface Area: 30.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 82.600
• 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. Shichao Xu, Xiaojing Zeng, Songlin Dai, Jing Wang, Yuxiang Chen, Jie Song, Yunfei Shi, Xian Cheng, Shengliang Liao, Zhendong Zhao.  (2020)  Turpentine Derived Secondary Amines for Sustainable Crop Protection: Synthesis, Activity Evaluation and QSAR Study.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:32975941] [10.1021/acs.jafc.0c01909]

2. Qing Li, Lishushi Qiu, Wenqiang Tan, Guodong Gu, Zhanyong Guo.  (2017)  Novel 1,2,3-triazolium-functionalized inulin derivatives: synthesis, free radical-scavenging activity, and antifungal activity.  RSC Advances,  7  (67): (42225-42232).  [PMID:] [10.1039/C7RA08244D]

3. Gang Liu, Mingdi Yang, Lianke Wang, Jun Zheng, Hongping Zhou, Jieying Wu, Yupeng Tian.  (2014)  Schiff base derivatives containing heterocycles with aggregation-induced emission and recognition ability.  Journal of Materials Chemistry C,  2  (15): (2684-2691).  [PMID:] [10.1039/C3TC32591A]

4. Yan Zhang, Xiaolong Xie, Song Zhao, Rui Jiang, Wenjing Qi, Lianzhe Hu.  (2025)  Detection of dissolved Ammonia and trinitrophenol using hydrogel tags doped with pyridine-functionalized AIEgens: A strategy for mitigating ammonium picrate hazards in explosive disposal.  SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,      [PMID:41412042] [10.1016/j.saa.2025.127345]