6-Chloro-3-methylpicolinic acid - ≥95% , CAS No.1201924-32-4

CAS: 1201924-32-4 Cat. No.: C190036 Formule: C₇H₆ClNO₂ Poids moléculaire: 171.58 Numéro CE: 962-711-0

GRADE & PURITY ≥95%

Synonyms

6-chloro-3-methylpicolinicacid | ODSPBBWQVLWOPG-UHFFFAOYSA-N | Z3234879051 | 6-CHLORO-3-METHYL-2-PYRIDINE CARBOXYLIC ACID | 1201924-32-4 | 6-Chloro-3-methylpicolinic acid, AldrichCPR | 2-PYRIDINECARBOXYLIC ACID, 6-CHLORO-3-METHYL- | SCHEMBL1428059 | BCP21

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

6-chloro-3-methylpicolinicacid | ODSPBBWQVLWOPG-UHFFFAOYSA-N | Z3234879051 | 6-CHLORO-3-METHYL-2-PYRIDINE CARBOXYLIC ACID | 1201924-32-4 | 6-Chloro-3-methylpicolinic acid, AldrichCPR | 2-PYRIDINECARBOXYLIC ACID, 6-CHLORO-3-METHYL- | SCHEMBL1428059 | BCP21

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥95%

Noms et identifiants

Pubchem Sid

528762137

Sourires canoniques

CC1=C(N=C(C=C1)Cl)C(=O)O

IUPAC Name

6-chloro-3-methylpyridine-2-carboxylic acid

InChIKey

ODSPBBWQVLWOPG-UHFFFAOYSA-N

INCHI

1S/C7H6ClNO2/c1-4-2-3-5(8)9-6(4)7(10)11/h2-3H,1H3,(H,10,11)

Isomères SMILES

CC1=C(N=C(C=C1)Cl)C(=O)O

Poids moléculaire

171.58

Reaxy-Rn

21172893

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21172893&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: Methylpyridines 2-halopyridines Aryl chlorides Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - Methylpyridine - 2-halopyridine - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen 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

Propriétés chimiques et physiques

• Poids moléculaire: 171.580 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 171.009 Da
• Monoisotopic Mass: 171.009 Da
• Topological Polar Surface Area: 50.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 163.000
• 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