2-(2,2-dimethylpropanamido)-5-methylpyridine-3-carboxylic acid - ≥97% , CAS No.1203499-02-8

CAS: 1203499-02-8 Cat. No.: M166422 Peso molecular: 236.27 PubChem CID: 46318098

GRADE & PURITY ≥97%

Synonyms

5-Methyl-2-pivalamidonicotinic acid | 2-(2,2-dimethylpropanamido)-5-methylpyridine-3-carboxylic acid | AKOS015842088 | 1203499-02-8 | 2-(2,2-dimethylpropanoylamino)-5-methylpyridine-3-carboxylic acid | 5-Methyl-2-pivalamidonicotinicacid | 5-Methyl-2-pival

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

5-Methyl-2-pivalamidonicotinic acid | 2-(2, 2-dimethylpropanamido)-5-methylpyridine-3-carboxylic acid | AKOS015842088 | 1203499-02-8 | 2-(2, 2-dimethylpropanoylamino)-5-methylpyridine-3-carboxylic acid | 5-Methyl-2-pivalamidonicotinicacid | 5-Methyl-2-pival

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CC1=CC(=C(N=C1)NC(=O)C(C)(C)C)C(=O)O
• IUPAC Name: 2-(2,2-dimethylpropanoylamino)-5-methylpyridine-3-carboxylic acid
• InChIKey: RYMMSGYQBZNNID-UHFFFAOYSA-N
• INCHI: 1S/C12H16N2O3/c1-7-5-8(10(15)16)9(13-6-7)14-11(17)12(2,3)4/h5-6H,1-4H3,(H,15,16)(H,13,14,17)
• Isómeros SMILES: CC1=CC(=C(N=C1)NC(=O)C(C)(C)C)C(=O)O
• WGK Alemania: 3
• PubChem CID: 46318098
• Peso molecular: 236.27

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinecarboxylic acids
• Alternative Parents: N-arylamides Methylpyridines Imidolactams Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - N-arylamide - Methylpyridine - Imidolactam - Vinylogous amide - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 236.270 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 236.116 Da
• Monoisotopic Mass: 236.116 Da
• Topological Polar Surface Area: 79.300 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 309.000
• 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