3-Methylpicolinamide - ≥97% , CAS No.937648-82-3

CAS: 937648-82-3 Cat. No.: M728796 분자식: C₇H₈N₂O 분자량: 136.15 PubChem CID: 16641023

GRADE & PURITY ≥97%

Synonyms

3-Methyl-2-pyridinecarboxamide

Storage

Room temperature

Specifications

동의어

3-Methyl-2-pyridinecarboxamide

사양 및 순도

≥97%

보관 조건

Room temperature

순수함

≥97%

이름과 식별자

• 정식 스마일: CC1=C(N=CC=C1)C(=O)N
• IUPAC Name: 3-methylpyridine-2-carboxamide
• InChIKey: AIOUQYUFHADEHR-UHFFFAOYSA-N
• INCHI: 1S/C7H8N2O/c1-5-3-2-4-9-6(5)7(8)10/h2-4H,1H3,(H2,8,10)
• 이성체 SMILES: CC1=C(N=CC=C1)C(=O)N
• PubChem CID: 16641023
• 분자량: 136.15

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Pyridines and derivatives
      • Subclass Methylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Pyridines and derivatives
• Subclass: Methylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Methylpyridines
• Alternative Parents: Heteroaromatic compounds Carboximidic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Methylpyridine - Heteroaromatic compound - Azacycle - Carboximidic acid derivative - Carboximidic acid - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as methylpyridines. These are organic compounds containing a pyridine ring substituted at one or more positions by a methyl 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

화학 및 물리적 특성

• 분자량: 136.150 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 136.064 Da
• Monoisotopic Mass: 136.064 Da
• Topological Polar Surface Area: 56.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 136.000
• 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