2-(pyridin-2-yl)ethanimidamide

• ChemBase ID: 308393
• Molecular Formular: C7H9N3
• Molecular Mass: 135.16646
• Monoisotopic Mass: 135.0796473
• SMILES: C(=N)(Cc1ncccc1)N
• Canonical SMILES: NC(=N)Cc1ccccn1
• InChI: InChI=1S/C7H9N3/c8-7(9)5-6-3-1-2-4-10-6/h1-4H,5H2,(H3,8,9)
• InChIKey: JDGKYIRQZRAXAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyridin-2-yl)ethanimidamide
• IUPAC Traditional name: 2-(pyridin-2-yl)ethanimidamide
• Synonyms: 2-(2-pyridinyl)ethanimidamide

Database IDs

• CAS Number: 51451-47-9
• MDL Number: MFCD05663357

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.373346
• LogD (pH = 7.4): -2.3674433
• Log P: 0.04205757
• Molar Refractivity: 49.253 cm^3
• Polarizability: 14.970648 Å^3
• Polar Surface Area: 62.76 Å^2