2-(pyridin-3-yl)ethanimidamide

• ChemBase ID: 262408
• Molecular Formular: C7H9N3
• Molecular Mass: 135.16646
• Monoisotopic Mass: 135.0796473
• SMILES: C(=N)(Cc1cnccc1)N
• Canonical SMILES: NC(=N)Cc1cccnc1
• InChI: InChI=1S/C7H9N3/c8-7(9)4-6-2-1-3-10-5-6/h1-3,5H,4H2,(H3,8,9)
• InChIKey: IMXUROAABBBUOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyridin-3-yl)ethanimidamide
• IUPAC Traditional name: 2-(pyridin-3-yl)ethanimidamide
• Synonyms: 2-(3-pyridinyl)ethanimidamide; 2-(pyridin-3-yl)ethanimidamide

Database IDs

• CAS Number: 474310-74-2
• MDL Number: MFCD05663358
• PubChem SID: 164318318
• PubChem CID: 5201203

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.7594912
• LogD (pH = 7.4): -2.7571769
• Log P: -0.34379277
• Molar Refractivity: 49.625 cm^3
• Polarizability: 14.969999 Å^3
• Polar Surface Area: 62.76 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.993

Product Information

• Purity: 95%