Methyl 2-amino-5-chloropyridine-3-carboxylate - ≥98% , CAS No.50735-33-6

CAS: 50735-33-6 Cat. No.: M184851 Molecular Weight: 186.6 EC Number: 816-991-5

GRADE & PURITY ≥98%

Synonyms

SY103313 | Methyl 2-amino-5-chloronicotinate | AB49362 | SCHEMBL914850 | TS-02617 | METHYL 2-AMINO-5-CHLOROPYRIDINE-3-CARBOXYLATE | FT-0688473 | MFCD09031678 | PEYKGXOKTQNWCI-UHFFFAOYSA-N | 2-AMINO-5-CHLORO-NICOTINICACIDMETHYLESTER | 3-Pyridinecarboxylic

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

SY103313 | Methyl 2-amino-5-chloronicotinate | AB49362 | SCHEMBL914850 | TS-02617 | METHYL 2-AMINO-5-CHLOROPYRIDINE-3-CARBOXYLATE | FT-0688473 | MFCD09031678 | PEYKGXOKTQNWCI-UHFFFAOYSA-N | 2-AMINO-5-CHLORO-NICOTINICACIDMETHYLESTER | 3-Pyridinecarboxylic

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488198984
• Canonical Smiles: COC(=O)C1=C(N=CC(=C1)Cl)N
• IUPAC Name: methyl 2-amino-5-chloropyridine-3-carboxylate
• InChIKey: PEYKGXOKTQNWCI-UHFFFAOYSA-N
• INCHI: 1S/C7H7ClN2O2/c1-12-7(11)5-2-4(8)3-10-6(5)9/h2-3H,1H3,(H2,9,10)
• Isomeric SMILES: COC(=O)C1=C(N=CC(=C1)Cl)N
• Molecular Weight: 186.6
• Reaxy-Rn: 388842
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=388842&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: Aminopyridines and derivatives Imidolactams Aryl chlorides Vinylogous amides Methyl esters Heteroaromatic compounds Amino acids and derivatives Azacyclic compounds Primary amines Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - Aminopyridine - Aryl chloride - Aryl halide - Imidolactam - Methyl ester - Heteroaromatic compound - Vinylogous amide - Carboxylic acid ester - Amino acid or derivatives - Carboxylic acid derivative - Azacycle - Amine - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen 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

Chemical and Physical Properties

• Sensitivity: light sensitive
• Molecular Weight: 186.590 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 186.02 Da
• Monoisotopic Mass: 186.02 Da
• Topological Polar Surface Area: 65.200 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 177.000
• 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