Picolinamide - ≥98%(HPLC) , CAS No.1452-77-3

CAS: 1452-77-3 Cat. No.: P138238 Formula: C₆H₆N₂O Molecular Weight: 122.12 Beilstein Registry Number: 22(3/4)311 EC Number: 215-921-5 PubChem CID: 15070

GRADE & PURITY ≥98%(HPLC)

Synonyms

C01950 | NSC 524473 | alpha-Picolinamide | PICOLINAMIDE [INCI] | 2-Carbamoylpyridine | Picolinamide; 2-Pyridinecarboxamide | pyridine amide | s4710 | .alpha.-Pyridinecarboxamide | J-008082 | 2-Pyridinecarboxamide | 2-pyridine-carboxamide | alpha - picolin

Storage

Protected from light,Room temperature

Shipped In

Normal

Overview

Picolinamide is potential inhibitor of poly (ADP-ribose) synthetase of nuclei from rat pancreatic islet cells. It acts as bidentate ligand and forms complexes with lanthanide nitrates, thiocyanates and perchlorates. Picolinamide can be used as template in preparation of molecular imprinting polymer. Picolinamide can be used in a study to evaluate kinetics and mechanism of liberation of picolinamide from chromium(III)-picolinamide complexes in perchloric acid.
Picolinamide was used as template in preparation of molecular imprinting polymer1. Picolinamide was used in a study to evaluate kinetics and mechanism of liberation of picolinamide from chromium(III)-picolinamide complexes in HClO42.

Specifications

Synonyms

C01950 | NSC 524473 | alpha-Picolinamide | PICOLINAMIDE [INCI] | 2-Carbamoylpyridine | Picolinamide; 2-Pyridinecarboxamide | pyridine amide | s4710 | .alpha.-Pyridinecarboxamide | J-008082 | 2-Pyridinecarboxamide | 2-pyridine-carboxamide | alpha - picolin

Specifications & Purity

≥98%(HPLC)

Biochemical and Physiological Mechanisms

Pyridylamide is a potential inhibitor of ADP ribose synthetase. Pyridinamides act as bidentate ligands and form complexes with lanthanide nitrates, thiocyanates and perchlorates.

Storage

Protected from light,Room temperature

Shipped In

Normal

Action Type

INHIBITOR

Purity

≥98%(HPLC)

Names and Identifiers

Pubchem Sid

488182056

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488182056

Canonical Smiles

C1=CC=NC(=C1)C(=O)N

IUPAC Name

pyridine-2-carboxamide

InChIKey

IBBMAWULFFBRKK-UHFFFAOYSA-N

INCHI

1S/C6H6N2O/c7-6(9)5-3-1-2-4-8-5/h1-4H,(H2,7,9)

Isomeric SMILES

C1=CC=NC(=C1)C(=O)N

WGK Germany

3

PubChem CID

15070

Molecular Weight

122.12

Beilstein

22(3/4)311

Reaxy-Rn

109617

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: Pyridinecarboxamides
• Alternative Parents: 2-heteroaryl carboxamides Heteroaromatic compounds Primary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridinecarboxamide - 2-heteroaryl carboxamide - Heteroaromatic compound - Primary carboxylic acid amide - Carboxamide group - Azacycle - 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 pyridinecarboxamides. These are compounds containing a pyridine ring bearing a carboxamide.
• External Descriptors: pyridinecarboxamide

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

Chemical and Physical Properties

• x_boil_point_char: 143 °C/20 mmHg
• x_melt_point_char: 105 °C
• Molecular Weight: 122.120 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 122.048 Da
• Monoisotopic Mass: 122.048 Da
• Topological Polar Surface Area: 56.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 114.000
• 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

Frequently Asked Questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store in a cool place, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1452-77-3, the molecular formula is C6H6N2O, and the molecular weight is 122.12 g/mol. InChIKey IBBMAWULFFBRKK-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.