Methyl 4-methylpicolinate - ≥97% , CAS No.13509-13-2

CAS: 13509-13-2 Cat. No.: M190656 Formule: C₈H₉NO₂ Poids moléculaire: 151.16 Numéro CE: 860-135-3

GRADE & PURITY ≥97%

Synonyms

AKOS016005744 | 2-Pyridinecarboxylicacid,4-methyl-,methylester(9CI) | Methyl 4-methylpyridine-2-carboxylate | 2-Pyridinecarboxylic acid, 4-methyl-, methyl ester | SY284479 | MFCD09265118 | W17537 | SCHEMBL131790 | A887754 | Methyl4-methylpicolinate | Meth

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

AKOS016005744 | 2-Pyridinecarboxylicacid,4-methyl-,methylester(9CI) | Methyl 4-methylpyridine-2-carboxylate | 2-Pyridinecarboxylic acid, 4-methyl-, methyl ester | SY284479 | MFCD09265118 | W17537 | SCHEMBL131790 | A887754 | Methyl4-methylpicolinate | Meth

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

Pubchem Sid

488196927

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488196927

Sourires canoniques

CC1=CC(=NC=C1)C(=O)OC

IUPAC Name

methyl 4-methylpyridine-2-carboxylate

InChIKey

QHZGJQWANGVCLB-UHFFFAOYSA-N

INCHI

1S/C8H9NO2/c1-6-3-4-9-7(5-6)8(10)11-2/h3-5H,1-2H3

Isomères SMILES

CC1=CC(=NC=C1)C(=O)OC

Poids moléculaire

151.16

Reaxy-Rn

122904

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=122904&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: Methylpyridines Methyl esters Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - Methylpyridine - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen 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

Propriétés chimiques et physiques

• Poids moléculaire: 151.160 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 151.063 Da
• Monoisotopic Mass: 151.063 Da
• Topological Polar Surface Area: 39.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 147.000
• 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