Methyl 6-(hydroxymethyl)picolinate - ≥97% , CAS No.39977-44-1

CAS: 39977-44-1 Cat. No.: M588997 Summenformel: C₈H₉NO₃ Molekulargewicht: 167.16 EG-Nummer: 809-354-8

GRADE & PURITY ≥97%

Synonyms

2-(Hydroxymethyl)-6-methoxycarbonylpyridine | HY-W013962 | methyl 6-hydroxymethylpyridine-2-carboxylate | EN300-128737 | J-522689 | Methyl 6-hydroxymethyl-2-pyridine carboxylic acid | A824831 | AMY30323 | SCHEMBL183978 | Methyl 6-(hydroxymethyl)pyridine-2

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

2-(Hydroxymethyl)-6-methoxycarbonylpyridine | HY-W013962 | methyl 6-hydroxymethylpyridine-2-carboxylate | EN300-128737 | J-522689 | Methyl 6-hydroxymethyl-2-pyridine carboxylic acid | A824831 | AMY30323 | SCHEMBL183978 | Methyl 6-(hydroxymethyl)pyridine-2

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

508810208

Kanonisches Lächeln

COC(=O)C1=CC=CC(=N1)CO

IUPAC Name

methyl 6-(hydroxymethyl)pyridine-2-carboxylate

InChIKey

DVIUNMLAPDJWHL-UHFFFAOYSA-N

INCHI

1S/C8H9NO3/c1-12-8(11)7-4-2-3-6(5-10)9-7/h2-4,10H,5H2,1H3

Isomere SMILES

COC(=O)C1=CC=CC(=N1)CO

Alternative CAS-Nummer

39977-44-1

Molekulargewicht

167.16

Reaxy-Rn

131594

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=131594&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: Methyl esters Heteroaromatic compounds Azacyclic compounds Primary alcohols Organonitrogen compounds Organic oxides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - Methyl ester - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Alcohol - Hydrocarbon derivative - Aromatic alcohol - Organic oxide - Primary alcohol - Organooxygen compound - Organonitrogen compound - 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: 167.160 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 167.058 Da
• Monoisotopic Mass: 167.058 Da
• Topological Polar Surface Area: 59.400 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 160.000
• 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