2-amino-6-methylpyridine-3-carboxylic acid - ≥97% , CAS No.846021-26-9

CAS: 846021-26-9 Cat. No.: A177594 Molecular Weight: 152.1506 EC Number: 859-061-4

GRADE & PURITY ≥97%

Synonyms

PB33689 | 3-PYRIDINECARBOXYLIC ACID, 2-AMINO-6-METHYL- | AS-41535 | DTXSID40370310 | AKOS012001786 | EN300-170181 | 2-AMINO-6-METHYL-3-PYRIDINECARBOXYLICACID | 2-AMINO-6-METHYLNICOTINIC ACID | 2-AMINO-6-METHYL-NICOTINIC ACID | AMY33553 | 2-AMINO-6-METHYL-

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

PB33689 | 3-PYRIDINECARBOXYLIC ACID, 2-AMINO-6-METHYL- | AS-41535 | DTXSID40370310 | AKOS012001786 | EN300-170181 | 2-AMINO-6-METHYL-3-PYRIDINECARBOXYLICACID | 2-AMINO-6-METHYLNICOTINIC ACID | 2-AMINO-6-METHYL-NICOTINIC ACID | AMY33553 | 2-AMINO-6-METHYL-

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488192581
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192581
• Canonical Smiles: CC1=NC(=C(C=C1)C(=O)O)N
• IUPAC Name: 2-amino-6-methylpyridine-3-carboxylic acid
• InChIKey: XQBYYQRWYONQLM-UHFFFAOYSA-N
• INCHI: 1S/C7H8N2O2/c1-4-2-3-5(7(10)11)6(8)9-4/h2-3H,1H3,(H2,8,9)(H,10,11)
• Isomeric SMILES: CC1=NC(=C(C=C1)C(=O)O)N
• Molecular Weight: 152.1506
• Reaxy-Rn: 129161
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=129161&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: Methylpyridines Aminopyridines and derivatives Imidolactams Vinylogous amides Heteroaromatic compounds Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - Aminopyridine - Methylpyridine - Imidolactam - Vinylogous amide - Heteroaromatic compound - Amino acid - Amino acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Primary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Organic oxygen compound - Amine - Hydrocarbon derivative - 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

Mechanisms of Action

Chemical and Physical Properties

• Flash Point(°C): 159.4°C
• Boil Point(°C): 339.9°C at 760 mmHg
• Molecular Weight: 152.150 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 152.059 Da
• Monoisotopic Mass: 152.059 Da
• Topological Polar Surface Area: 76.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 161.000
• 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