6-Methylfuro[3,2-c]pyridine , CAS No.117013-82-8

CAS: 117013-82-8 Cat. No.: M930224 분자식: C₈H₇NO 분자량: 133.150

Storage

Room temperature

Specifications

보관 조건

Room temperature

이름과 식별자

• 정식 스마일: CC1=CC2=C(C=CO2)C=N1
• IUPAC Name: 6-methylfuro[3,2-c]pyridine
• InChIKey: BXWFPNZMDPPYML-UHFFFAOYSA-N
• INCHI: 1S/C8H7NO/c1-6-4-8-7(5-9-6)2-3-10-8/h2-5H,1H3
• 분자량: 133.150

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Furopyridines
• Subclass: Furo[3,2-c]pyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Furo[3,2-c]pyridines
• Alternative Parents: Methylpyridines Heteroaromatic compounds Furans Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Furo[3,2-c]pyridine - Methylpyridine - Pyridine - Heteroaromatic compound - Furan - Oxacycle - Azacycle - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as furo[3,2-c]pyridines. These are aromatic compounds containing a furopyridine ring system, where the O- and the N-atom are at the 1- and 5- 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

화학 및 물리적 특성

• 분자량: 133.150 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 133.053 Da
• Monoisotopic Mass: 133.053 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 126.000
• 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