furo[2,3-c]pyridine-2-carboxylic acid - ≥97% , CAS No.112372-15-3

CAS: 112372-15-3 Cat. No.: F680540 Molecular Weight: 163.13 EC Number: 810-878-4 PubChem CID: 13803072

GRADE & PURITY ≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1=CN=CC2=C1C=C(O2)C(=O)O
• IUPAC Name: furo[2,3-c]pyridine-2-carboxylic acid
• InChIKey: WMPIDXCJMDIDQY-UHFFFAOYSA-N
• INCHI: 1S/C8H5NO3/c10-8(11)6-3-5-1-2-9-4-7(5)12-6/h1-4H,(H,10,11)
• Isomeric SMILES: C1=CN=CC2=C1C=C(O2)C(=O)O
• PubChem CID: 13803072
• Molecular Weight: 163.13

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Furopyridines
      • Subclass Furo[2,3-c]pyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Furopyridines
• Subclass: Furo[2,3-c]pyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Furo[2,3-c]pyridines
• Alternative Parents: Furoic acids Pyridines and derivatives Heteroaromatic compounds Oxacyclic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Furo[2,3-c]pyridine - Furoic acid or derivatives - Furoic acid - Pyridine - Furan - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Azacycle - Oxacycle - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as furo[2,3-c]pyridines. These are aromatic compounds containing a furopyridine ring system, where the O- and the N-atom are at the 1- and 6- position, respectively.
• 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: 163.130 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 163.027 Da
• Monoisotopic Mass: 163.027 Da
• Topological Polar Surface Area: 63.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 195.000
• 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