3-Chloro-2-methoxyisonicotinic acid - ≥98% , CAS No.1211584-06-3

CAS: 1211584-06-3 Cat. No.: C190112 Summenformel: C₇H₆ClNO₃ Molekulargewicht: 187.58 EG-Nummer: 874-925-0

GRADE & PURITY ≥98%

Synonyms

AM85500 | SB31773 | 1211584-06-3 | 3-chloro-2-methoxypyridine-4-carboxylic acid | 3-Chloro-2-methoxy-4-pyridinecarboxylic acid | DS-17189 | DTXSID80721004 | A891875 | AKOS015919591 | 3-Chloro-2-methoxyisonicotinic acid, 95% | 3-Chloro-2-methoxyisonicotini

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyme

AM85500 | SB31773 | 1211584-06-3 | 3-chloro-2-methoxypyridine-4-carboxylic acid | 3-Chloro-2-methoxy-4-pyridinecarboxylic acid | DS-17189 | DTXSID80721004 | A891875 | AKOS015919591 | 3-Chloro-2-methoxyisonicotinic acid, 95% | 3-Chloro-2-methoxyisonicotini

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 528758682
• Kanonisches Lächeln: COC1=NC=CC(=C1Cl)C(=O)O
• IUPAC Name: 3-chloro-2-methoxypyridine-4-carboxylic acid
• InChIKey: GLKKQNFVOGCQFU-UHFFFAOYSA-N
• INCHI: 1S/C7H6ClNO3/c1-12-6-5(8)4(7(10)11)2-3-9-6/h2-3H,1H3,(H,10,11)
• Isomere SMILES: COC1=NC=CC(=C1Cl)C(=O)O
• Molekulargewicht: 187.58
• Reaxy-Rn: 35885585
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=35885585&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: 1-carboxy-2-haloaromatic compounds Alkyl aryl ethers Aryl chlorides Vinylogous halides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - 1-carboxy-2-haloaromatic compound - Alkyl aryl ether - Aryl chloride - Aryl halide - Heteroaromatic compound - Vinylogous halide - Carboxylic acid derivative - Carboxylic acid - Ether - Azacycle - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - 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: 187.580 g/mol
• XLogP3: 1.300
• 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