4-Hydroxynicotinic acid - ≥97% , CAS No.609-70-1

CAS: 609-70-1 Cat. No.: H128097 Formule: C₆H₅NO₃ Poids moléculaire: 139.11 Numéro CE: 210-197-7

QUALITÉ & PURETÉ ≥97%

Synonyms

3-Pyridinecarboxylicacid,1,4-dihydro-4-oxo- | Odhpca | Oprea1_654715 | 4-hydroxy nicotinic acid | HMS2405E22 | AB00407914-09 | EINECS 210-197-7 | IDI1_010722 | AM808269 | 3-Pyridinecarboxylicacid, 4-hydroxy | 3-Pyridinecarboxylic acid, 4-hydroxy- | SCHEMB

Storage

Room temperature

Shipped In

Normal

Spécifications

Synonymes

3-Pyridinecarboxylicacid,1,4-dihydro-4-oxo- | Odhpca | Oprea1_654715 | 4-hydroxy nicotinic acid | HMS2405E22 | AB00407914-09 | EINECS 210-197-7 | IDI1_010722 | AM808269 | 3-Pyridinecarboxylicacid, 4-hydroxy | 3-Pyridinecarboxylic acid, 4-hydroxy- | SCHEMB

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

Pubchem Sid

488184218

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488184218

Sourires canoniques

C1=CNC=C(C1=O)C(=O)O

IUPAC Name

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

InChIKey

CHCUBGPSZDGABM-UHFFFAOYSA-N

INCHI

1S/C6H5NO3/c8-5-1-2-7-3-4(5)6(9)10/h1-3H,(H,7,8)(H,9,10)

Isomères SMILES

C1=CNC=C(C1=O)C(=O)O

Poids moléculaire

139.11

Reaxy-Rn

471728

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=471728&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinecarboxylic acids
• Alternative Parents: Dihydropyridinecarboxylic acids and derivatives Vinylogous amides Heteroaromatic compounds Cyclic ketones Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Dihydropyridinecarboxylic acid derivative - Pyridine carboxylic acid - Dihydropyridine - Hydropyridine - Heteroaromatic compound - Vinylogous amide - Cyclic ketone - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Aromatic heteromonocyclic compound
• Description: 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

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

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KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)

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KMT2A Tchem Histone-lysine N-methyltransferase MLL (17327 Activities)

Discover Target: KMT2A

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Cibles associées (non humaines)

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

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Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 139.110 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 139.027 Da
• Monoisotopic Mass: 139.027 Da
• Topological Polar Surface Area: 66.400 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 239.000
• 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