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

CAS: 1201924-32-4 Cat. No.: C190036 Summenformel: C₇H₆ClNO₂ Molekulargewicht: 171.58 EG-Nummer: 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

Synonyme

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

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

528762137

Kanonisches Lächeln

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)

Isomere SMILES

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

Molekulargewicht

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
    • Klasse Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 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