Ethyl Isonicotinate - ≥98%(GC) , CAS No.1570-45-2

CAS: 1570-45-2 Cat. No.: E123188 Formula: C₈H₉NO₂ Molecular Weight: 151.16 Beilstein Registry Number: 122942 EC Number: 216-379-2

GRADE & PURITY ≥98%(GC)

Synonyms

HMS1754D18 | 4-Carbethoxypyridine | BRN 0122942 | ETHYL ISONICOTINATE | .gamma.-Pyridinecarboxylic acid ethyl ester | MFCD00006428 | Ethyl 4-pyridinecarboxylate | AM20050839 | Ethyl isonicotinate, 98% | FT-0625784 | 4-Picolinic acid ethyl ester | D70811 |

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

application：

4-Pyridinecarboxylic Acid Ethyl Ester, is an organic building block, used in the synthesis of various pharmaceutical and biologically active compounds. It is also a pyridine compound that is shown to be able to trap the thrips in the corp.

Specifications

Synonyms

HMS1754D18 | 4-Carbethoxypyridine | BRN 0122942 | ETHYL ISONICOTINATE | .gamma.-Pyridinecarboxylic acid ethyl ester | MFCD00006428 | Ethyl 4-pyridinecarboxylate | AM20050839 | Ethyl isonicotinate, 98% | FT-0625784 | 4-Picolinic acid ethyl ester | D70811 |

Specifications & Purity

≥98%(GC)

Storage

Room temperature,Argon charged

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

Pubchem Sid

488182093

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488182093

Canonical Smiles

CCOC(=O)C1=CC=NC=C1

IUPAC Name

ethyl pyridine-4-carboxylate

InChIKey

MCRPKBUFXAKDKI-UHFFFAOYSA-N

INCHI

1S/C8H9NO2/c1-2-11-8(10)7-3-5-9-6-4-7/h3-6H,2H2,1H3

Isomeric SMILES

CCOC(=O)C1=CC=NC=C1

WGK Germany

3

RTECS

NS1450000

Molecular Weight

151.16

Beilstein

122942

Reaxy-Rn

122942

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=122942&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinecarboxylic acids
• Alternative Parents: Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid 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(non-human)

Frankliniella occidentalis (90 Activities)

Explore this target

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

Thrips tabaci (33 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

• Solubility: Chloroform (Slightly), Methanol (Slightly): Chloroform (trace amount), methanol (trace amount)
• Sensitivity: Air sensitive；Heat sensitive
• x_refractive_index: 1.501
• x_flash_point_drop_fahrenheit: 87°C
• x_flash_point_drop_centigrade: 87°C
• x_boil_point_char: 220°C
• Molecular Weight: 151.160 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 151.063 Da
• Monoisotopic Mass: 151.063 Da
• Topological Polar Surface Area: 39.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 130.000
• 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