3-ethynylpyridin-2-amine

• ChemBase ID: 814658
• Molecular Formular: C7H6N2
• Molecular Mass: 118.13594
• Monoisotopic Mass: 118.0530982
• SMILES: n1c(c(ccc1)C#C)N
• Canonical SMILES: C#Cc1cccnc1N
• InChI: InChI=1S/C7H6N2/c1-2-6-4-3-5-9-7(6)8/h1,3-5H,(H2,8,9)
• InChIKey: DQEVAYRCQIJNJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethynylpyridin-2-amine
• IUPAC Traditional name: 3-ethynylpyridin-2-amine
• Synonyms: 3-ethynylpyridin-2-amine

Database IDs

• CAS Number: 67346-74-1

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.11408993
• LogD (pH = 7.4): 0.6565822
• Log P: 0.67194027
• Molar Refractivity: 34.0873 cm^3
• Polarizability: 13.146662 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%