[(5-chloropyridin-2-yl)carbamoyl]formic acid - ≥97% , CAS No.552850-73-4

CAS: 552850-73-4 Cat. No.: C176782 Peso molecular: 200.58

GRADE & PURITY ≥97%

Synonyms

[(5-chloropyridin-2-yl)carbamoyl]formic acid | F2189-1038 | SB13386 | [(5-Chloropyridin-2-yl)amino](oxo)acetic acid | 2-[(5-Chloro-2-pyridinyl)amino]-2-oxo-acetic acid, AldrichCPR | 2-((5-CHLOROPYRIDIN-2-YL)AMINO)-2-OXOACETIC ACID | 2-[(5-Chloro-2-pyridyl

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

[(5-chloropyridin-2-yl)carbamoyl]formic acid | F2189-1038 | SB13386 | [(5-Chloropyridin-2-yl)amino](oxo)acetic acid | 2-[(5-Chloro-2-pyridinyl)amino]-2-oxo-acetic acid, AldrichCPR | 2-((5-CHLOROPYRIDIN-2-YL)AMINO)-2-OXOACETIC ACID | 2-[(5-Chloro-2-pyridyl

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=NC=C1Cl)NC(=O)C(=O)O
• IUPAC Name: 2-[(5-chloropyridin-2-yl)amino]-2-oxoacetic acid
• InChIKey: UQMUSEDZBHNTTQ-UHFFFAOYSA-N
• INCHI: 1S/C7H5ClN2O3/c8-4-1-2-5(9-3-4)10-6(11)7(12)13/h1-3H,(H,12,13)(H,9,10,11)
• Isómeros SMILES: C1=CC(=NC=C1Cl)NC(=O)C(=O)O
• Peso molecular: 200.58
• Reaxy-Rn: 19452196
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19452196&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: N-arylamides Pyridines and derivatives Imidolactams Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alpha-amino acid or derivatives - N-arylamide - Aryl chloride - Aryl halide - Pyridine - Imidolactam - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
• 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: 200.580 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 199.999 Da
• Monoisotopic Mass: 199.999 Da
• Topological Polar Surface Area: 79.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 222.000
• 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