5-Chloro-6-methoxypicolinic acid - ≥95% , CAS No.1214373-91-7

CAS: 1214373-91-7 Cat. No.: C190143 Formule: C₇H₆ClNO₃ Poids moléculaire: 187.58 Numéro CE: 978-405-5

GRADE & PURITY ≥95%

Synonyms

5-Chloro-6-methoxypicolinic acid | 5-Chloro-6-methoxypyridine-2-carboxylic acid | 5-chloro-6-methoxypyridine-2-carboxylic acid; | 3-Chloro-2-methoxy-6-pyridinecarboxylic acid | A891713 | FT-0759605 | MFCD13185830 | 2-Pyridinecarboxylic acid, 5-chloro-6-me

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

5-Chloro-6-methoxypicolinic acid | 5-Chloro-6-methoxypyridine-2-carboxylic acid | 5-chloro-6-methoxypyridine-2-carboxylic acid; | 3-Chloro-2-methoxy-6-pyridinecarboxylic acid | A891713 | FT-0759605 | MFCD13185830 | 2-Pyridinecarboxylic acid, 5-chloro-6-me

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥95%

Noms et identifiants

• Sourires canoniques: COC1=C(C=CC(=N1)C(=O)O)Cl
• IUPAC Name: 5-chloro-6-methoxypyridine-2-carboxylic acid
• InChIKey: UPTNUQSNINVJKT-UHFFFAOYSA-N
• INCHI: 1S/C7H6ClNO3/c1-12-6-4(8)2-3-5(9-6)7(10)11/h2-3H,1H3,(H,10,11)
• Isomères SMILES: COC1=C(C=CC(=N1)C(=O)O)Cl
• Poids moléculaire: 187.58
• Reaxy-Rn: 38102930
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=38102930&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinecarboxylic acids
• Alternative Parents: Alkyl aryl ethers Aryl chlorides Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - Alkyl aryl ether - Aryl chloride - Aryl halide - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organic oxide - Organopnictogen compound - 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

Propriétés chimiques et physiques

• Poids moléculaire: 187.580 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 187.004 Da
• Monoisotopic Mass: 187.004 Da
• Topological Polar Surface Area: 59.400 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 176.000
• 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