4-Hydroxy-6-methylnicotinic acid - ≥98% , CAS No.67367-33-3

CAS: 67367-33-3 Cat. No.: H185945 Summenformel: C₇H₇NO₃ Molekulargewicht: 153.1 EG-Nummer: 675-033-2

GRADE & PURITY ≥98%

Synonyms

AB17044 | A835725 | SCHEMBL191344 | 4-Hydroxy-6-methylnicotinic acid | 4-Hydroxy-6-methyl-nicotinic acid | 4-hydroxy-6-methyl nicotinic acid | SCHEMBL5542139 | 4-hydroxy-6-methyl-3-pyridinecarboxylic acid | 4-hydroxy-6-methyl-3-picolinic acid | MFCD080597

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

AB17044 | A835725 | SCHEMBL191344 | 4-Hydroxy-6-methylnicotinic acid | 4-Hydroxy-6-methyl-nicotinic acid | 4-hydroxy-6-methyl nicotinic acid | SCHEMBL5542139 | 4-hydroxy-6-methyl-3-pyridinecarboxylic acid | 4-hydroxy-6-methyl-3-picolinic acid | MFCD080597

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488196783

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488196783

Kanonisches Lächeln

CC1=CC(=O)C(=CN1)C(=O)O

IUPAC Name

6-methyl-4-oxo-1H-pyridine-3-carboxylic acid

InChIKey

AOJLDZLRTUWFFY-UHFFFAOYSA-N

INCHI

1S/C7H7NO3/c1-4-2-6(9)5(3-8-4)7(10)11/h2-3H,1H3,(H,8,9)(H,10,11)

Isomere SMILES

CC1=CC(=O)C(=CN1)C(=O)O

Molekulargewicht

153.1

Reaxy-Rn

387402

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=387402&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: Dihydropyridinecarboxylic acids and derivatives Methylpyridines Vinylogous amides Heteroaromatic compounds Cyclic ketones Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Dihydropyridinecarboxylic acid derivative - Pyridine carboxylic acid - Dihydropyridine - Methylpyridine - Hydropyridine - Heteroaromatic compound - Vinylogous amide - Cyclic ketone - Carboxylic acid - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen 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: 153.140 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 153.043 Da
• Monoisotopic Mass: 153.043 Da
• Topological Polar Surface Area: 66.400 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 275.000
• 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