2-Methoxyisonicotinamide - ≥98% , CAS No.105612-50-8

CAS: 105612-50-8 Cat. No.: M179052 Formula: C₇H₈N₂O₂ Peso molecolare: 152.15

GRADE & PURITY ≥98%

Synonyms

PS-4669 | FT-0612853 | SB53183 | CCG-42864 | HMS1452I07 | D74458 | SR-01000632828-1 | 2-Methoxyisonicotinamide | DTXSID50372608 | Oprea1_751924 | SCHEMBL445784 | AKOS006229420 | Maybridge3_007523 | MFCD00174337 | 2-methoxypyridine-4-carboxamide | IDI1_018

Storage

Store at 2-8°C,Argon charged,Desiccated

Shipped In

Wet ice

Specifications

Sinonimi

PS-4669 | FT-0612853 | SB53183 | CCG-42864 | HMS1452I07 | D74458 | SR-01000632828-1 | 2-Methoxyisonicotinamide | DTXSID50372608 | Oprea1_751924 | SCHEMBL445784 | AKOS006229420 | Maybridge3_007523 | MFCD00174337 | 2-methoxypyridine-4-carboxamide | IDI1_018

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged,Desiccated

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

• Sorrisi canonici: COC1=NC=CC(=C1)C(=O)N
• IUPAC Name: 2-methoxypyridine-4-carboxamide
• InChIKey: OWHCHZOJASPGLJ-UHFFFAOYSA-N
• INCHI: 1S/C7H8N2O2/c1-11-6-4-5(7(8)10)2-3-9-6/h2-4H,1H3,(H2,8,10)
• Isomeri SMILES: COC1=NC=CC(=C1)C(=O)N
• Peso molecolare: 152.15
• Reaxy-Rn: 11294913
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11294913&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: Pyridinecarboxamides
• Alternative Parents: Alkyl aryl ethers Heteroaromatic compounds Primary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridinecarboxamide - Alkyl aryl ether - Heteroaromatic compound - Carboxamide group - Primary carboxylic acid amide - Carboxylic acid derivative - Ether - Azacycle - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as pyridinecarboxamides. These are compounds containing a pyridine ring bearing a carboxamide.
• 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

Proprietà chimiche e fisiche

• Punto di fusione (°C): 150-151 °C
• Peso molecolare: 152.150 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 152.059 Da
• Monoisotopic Mass: 152.059 Da
• Topological Polar Surface Area: 65.200 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