5-ethynylpyridin-2-amine

• ChemBase ID: 309570
• Molecular Formular: C7H6N2
• Molecular Mass: 118.13594
• Monoisotopic Mass: 118.0530982
• SMILES: C(#C)c1cnc(N)cc1
• Canonical SMILES: C#Cc1ccc(nc1)N
• InChI: InChI=1S/C7H6N2/c1-2-6-3-4-7(8)9-5-6/h1,3-5H,(H2,8,9)
• InChIKey: ZVGIVKMNLUTRPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethynylpyridin-2-amine
• IUPAC Traditional name: 5-ethynylpyridin-2-amine
• Synonyms: 5-ethynylpyridin-2-amine; 5-ethynyl-2-pyridinamine

Database IDs

• CAS Number: 82454-61-3
• MDL Number: MFCD13175209

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.2881191
• LogD (pH = 7.4): 0.6638702
• Log P: 0.67194027
• Molar Refractivity: 34.0873 cm^3
• Polarizability: 13.144951 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%