(5-Chlorofuro(3,2-b)pyridin-2-yl)methanol - ≥95% , CAS No.1347814-95-2

CAS: 1347814-95-2 Cat. No.: C999353 Molecular Weight: 183.590 EC Number: 831-470-2

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1=CC(=NC2=C1OC(=C2)CO)Cl
• IUPAC Name: (5-chlorofuro[3,2-b]pyridin-2-yl)methanol
• InChIKey: KEGRTUBZRMQESQ-UHFFFAOYSA-N
• INCHI: 1S/C8H6ClNO2/c9-8-2-1-7-6(10-8)3-5(4-11)12-7/h1-3,11H,4H2
• Molecular Weight: 183.590

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Furopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Furopyridines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Furopyridines
• Alternative Parents: 2-halopyridines Aryl chlorides Heteroaromatic compounds Furans Oxacyclic compounds Azacyclic compounds Primary alcohols Organonitrogen compounds Organochlorides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Furopyridine - 2-halopyridine - Aryl chloride - Aryl halide - Pyridine - Furan - Heteroaromatic compound - Oxacycle - Azacycle - Alcohol - Aromatic alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as furopyridines. These are aromatic heterocyclic compounds containing a furopyridine ring system, which consists of a furan ring fused 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

• Molecular Weight: 183.590 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 183.009 Da
• Monoisotopic Mass: 183.009 Da
• Topological Polar Surface Area: 46.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 167.000
• 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