5-(Hydroxymethyl)picolinic acid - ≥95% , CAS No.39977-41-8

CAS: 39977-41-8 Cat. No.: H193215 Fórmula: C₇H₇NO₃ Peso molecular: 153.14

GRADE & PURITY ≥95%

Synonyms

5-(Hydroxymethyl)-2-pyridinecarboxylic acid | 5-(Hydroxymethyl)picolinicacid | 5-Hydroxymethyl-pyridine-2-carboxylic acid | MFCD11520014 | AKOS006324502 | DTXSID10542789 | SCHEMBL287277 | A873515 | SY113490 | 5-(hydroxymethyl)pyridine-2-carboxylic acid |

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

5-(Hydroxymethyl)-2-pyridinecarboxylic acid | 5-(Hydroxymethyl)picolinicacid | 5-Hydroxymethyl-pyridine-2-carboxylic acid | MFCD11520014 | AKOS006324502 | DTXSID10542789 | SCHEMBL287277 | A873515 | SY113490 | 5-(hydroxymethyl)pyridine-2-carboxylic acid |

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

Sonrisas canónicas

C1=CC(=NC=C1CO)C(=O)O

IUPAC Name

5-(hydroxymethyl)pyridine-2-carboxylic acid

InChIKey

JFOQWSKCLFWNSW-UHFFFAOYSA-N

INCHI

1S/C7H7NO3/c9-4-5-1-2-6(7(10)11)8-3-5/h1-3,9H,4H2,(H,10,11)

Isómeros SMILES

C1=CC(=NC=C1CO)C(=O)O

Peso molecular

153.14

Reaxy-Rn

387239

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=387239&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives
        • Level5 Pyridinecarboxylic acids
          • Level6 Pyridine-2-carboxylic acids
            • Level7 5-alkyl-2-carboxypyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Pyridinecarboxylic acids - Pyridine-2-carboxylic acids
• Direct Parent: 5-alkyl-2-carboxypyrimidines
• Alternative Parents: Heteroaromatic compounds Carboxylic acids Azacyclic compounds Primary alcohols Organonitrogen compounds Organic oxides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 5-alkyl-2-carboxypyrimidine - Heteroaromatic compound - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 5-alkyl-2-carboxypyrimidines. These are pyrimidine-2-carboxylic acids that carry an alkyl group at the 5-position of the pyridine ring.
• 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

Propiedades químicas y físicas

• Peso molecular: 153.140 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 153.043 Da
• Monoisotopic Mass: 153.043 Da
• Topological Polar Surface Area: 70.400 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 149.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 39977-41-8, the molecular formula is C7H7NO3, and the molecular weight is 153.14 g/mol. InChIKey JFOQWSKCLFWNSW-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.