3-Iodopicolinic acid - ≥95% , CAS No.73841-32-4

CAS: 73841-32-4 Cat. No.: I186342 Summenformel: C₆H₄INO₂ Molekulargewicht: 249.01

GRADE & PURITY ≥95%

Synonyms

SY104913 | FT-0652939 | J-512704 | 2-Pyridinecarboxylic acid, 3-iodo- | NBPSOUHMLHTKID-UHFFFAOYSA-N | A22756 | FT-0645649 | 3-Iodo Picolinic Acid | AKOS015891650 | AB10544 | SCHEMBL364342 | 3-IODOPICOLINICACID | MFCD01928487 | DTXSID80460229 | 3-iodo-pyri

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

SY104913 | FT-0652939 | J-512704 | 2-Pyridinecarboxylic acid, 3-iodo- | NBPSOUHMLHTKID-UHFFFAOYSA-N | A22756 | FT-0645649 | 3-Iodo Picolinic Acid | AKOS015891650 | AB10544 | SCHEMBL364342 | 3-IODOPICOLINICACID | MFCD01928487 | DTXSID80460229 | 3-iodo-pyri

Spezifikationen & Reinheit

≥95%

Storage

Store at 2-8°C,Protected from light,Argon charged

Verschickt in

Wet ice

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

Reinheit

≥95%

Namen und Kennungen

• Pubchem Sid: 528759172
• Kanonisches Lächeln: C1=CC(=C(N=C1)C(=O)O)I
• IUPAC Name: 3-iodopyridine-2-carboxylic acid
• InChIKey: NBPSOUHMLHTKID-UHFFFAOYSA-N
• INCHI: 1S/C6H4INO2/c7-4-2-1-3-8-5(4)6(9)10/h1-3H,(H,9,10)
• Isomere SMILES: C1=CC(=C(N=C1)C(=O)O)I
• Molekulargewicht: 249.01
• Reaxy-Rn: 118950
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=118950&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: Aryl iodides Vinylogous halides Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organoiodides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - Aryl halide - Aryl iodide - Vinylogous halide - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organooxygen compound - Organonitrogen compound - Organoiodide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - 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

• Empfindlichkeit: Light sensitive
• Molekulargewicht: 249.010 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 248.929 Da
• Monoisotopic Mass: 248.929 Da
• Topological Polar Surface Area: 50.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 140.000
• 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