2-ethynyl-6-methylpyridin-3-amine

• ChemBase ID: 799766
• Molecular Formular: C8H8N2
• Molecular Mass: 132.16252
• Monoisotopic Mass: 132.06874827
• SMILES: n1c(c(ccc1C)N)C#C
• Canonical SMILES: C#Cc1nc(C)ccc1N
• InChI: InChI=1S/C8H8N2/c1-3-8-7(9)5-4-6(2)10-8/h1,4-5H,9H2,2H3
• InChIKey: GPTCTFGMDQCTLB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethynyl-6-methylpyridin-3-amine
• IUPAC Traditional name: 2-ethynyl-6-methylpyridin-3-amine
• Synonyms: 2-ethynyl-6-methylpyridin-3-amine

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.52736336
• LogD (pH = 7.4): 0.5937853
• Log P: 0.5947032
• Molar Refractivity: 37.9933 cm^3
• Polarizability: 14.91572 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%