Methyl 3-amino-2-chloroisonicotinate - ≥98% , CAS No.173435-41-1

CAS: 173435-41-1 Cat. No.: M182090 Peso molecular: 186.6 Número EC: 815-143-1

GRADE & PURITY ≥98%

Synonyms

J-010906 | KSZMBXHYSQDICN-UHFFFAOYSA-N | 4-Pyridinecarboxylicacid,3-amino-2-chloro-,methyl ester | AKOS005258762 | 3-Amino-2-chloroisonicotinic acid methyl ester | 3-Amino-2-chloro-isonicotinic acid methyl ester | FT-0614928 | AC-23292 | 4-Pyridinecarboxy

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

J-010906 | KSZMBXHYSQDICN-UHFFFAOYSA-N | 4-Pyridinecarboxylicacid, 3-amino-2-chloro-, methyl ester | AKOS005258762 | 3-Amino-2-chloroisonicotinic acid methyl ester | 3-Amino-2-chloro-isonicotinic acid methyl ester | FT-0614928 | AC-23292 | 4-Pyridinecarboxy

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Protected from light, Room temperature, Argon charged

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488193287
• Sonrisas canónicas: COC(=O)C1=C(C(=NC=C1)Cl)N
• IUPAC Name: methyl 3-amino-2-chloropyridine-4-carboxylate
• InChIKey: KSZMBXHYSQDICN-UHFFFAOYSA-N
• INCHI: 1S/C7H7ClN2O2/c1-12-7(11)4-2-3-10-6(8)5(4)9/h2-3H,9H2,1H3
• Isómeros SMILES: COC(=O)C1=C(C(=NC=C1)Cl)N
• Peso molecular: 186.6
• Reaxy-Rn: 8761834
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8761834&ln=

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: Aminopyridines and derivatives 2-halopyridines Aryl chlorides Vinylogous amides Methyl esters Heteroaromatic compounds Amino acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - Aminopyridine - 2-halopyridine - Aryl chloride - Aryl halide - Heteroaromatic compound - Vinylogous amide - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organopnictogen compound - Organooxygen compound - Primary amine - Organic oxygen compound - 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

• Sensibilidad: light sensitive
• Peso molecular: 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