2-Aminopyridine-5-methanol - ≥97% , CAS No.113293-71-3

CAS: 113293-71-3 Cat. No.: A136079 Formula: C₆H₈N₂O Molecular Weight: 124.14 EC Number: 640-926-8

GRADE & PURITY ≥97%

Synonyms

2-Amino-5-(hydroxymethyl)pyridine | SY041964 | 2-AMINOPYRIDINE-5-METHANOL | (6-Aminopyridin-3-yl)methanol, 6-Aminonicotinyl alcohol | TXPRFSOGPYITOT-UHFFFAOYSA-N | DTXSID50383451 | W-204812 | (6-aminopyridin-3-yl)methanol;(6-Amino-3-pyridyl)methanol | 6-A

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Product Application:

It is used as pharmaceutical intermediate. Benzoylthiophenes are allosteric enhancers (AE) of agonist activity at the A1 adenosine receptor.

Specifications

Synonyms

2-Amino-5-(hydroxymethyl)pyridine | SY041964 | 2-AMINOPYRIDINE-5-METHANOL | (6-Aminopyridin-3-yl)methanol, 6-Aminonicotinyl alcohol | TXPRFSOGPYITOT-UHFFFAOYSA-N | DTXSID50383451 | W-204812 | (6-aminopyridin-3-yl)methanol;(6-Amino-3-pyridyl)methanol | 6-A

Specifications & Purity

≥97%

Storage

Argon charged,Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488193994
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488193994
• Canonical Smiles: C1=CC(=NC=C1CO)N
• IUPAC Name: (6-aminopyridin-3-yl)methanol
• InChIKey: TXPRFSOGPYITOT-UHFFFAOYSA-N
• INCHI: 1S/C6H8N2O/c7-6-2-1-5(4-9)3-8-6/h1-3,9H,4H2,(H2,7,8)
• Isomeric SMILES: C1=CC(=NC=C1CO)N
• Molecular Weight: 124.14
• Reaxy-Rn: 4176515
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4176515&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Aminopyridines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Aminopyridines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminopyridines and derivatives
• Alternative Parents: Imidolactams Heteroaromatic compounds Azacyclic compounds Primary amines Primary alcohols Organopnictogen compounds Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminopyridine - Imidolactam - Heteroaromatic compound - Azacycle - Alcohol - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Aromatic alcohol - Primary amine - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aminopyridines and derivatives. These are organic heterocyclic compounds containing an amino group attached to a pyridine ring.
• 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

Chemical and Physical Properties

• Solubility: Sparingly soluble in water.(0.26 g/L) (25°C)
• Sensitivity: Air Sensitive
• Melt Point(°C): 121 °C
• Molecular Weight: 124.140 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 124.064 Da
• Monoisotopic Mass: 124.064 Da
• Topological Polar Surface Area: 59.100 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 87.100
• 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