1-(5-fluoropyridin-2-yl)cyclopropan-1-amine

• ChemBase ID: 240769
• Molecular Formular: C8H9FN2
• Molecular Mass: 152.1688632
• Monoisotopic Mass: 152.07497652
• SMILES: C1(CC1)(c1ncc(cc1)F)N
• Canonical SMILES: Fc1ccc(nc1)C1(N)CC1
• InChI: InChI=1S/C8H9FN2/c9-6-1-2-7(11-5-6)8(10)3-4-8/h1-2,5H,3-4,10H2
• InChIKey: GHCBVIGAJKYRNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(5-fluoropyridin-2-yl)cyclopropan-1-amine
• IUPAC Traditional name: 1-(5-fluoropyridin-2-yl)cyclopropan-1-amine
• Synonyms: 1-(5-fluoropyridin-2-yl)cyclopropan-1-amine

Database IDs

• MDL Number: MFCD11037270
• PubChem SID: 164296679
• PubChem CID: 55264748

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.9734871
• LogD (pH = 7.4): -0.4375454
• Log P: 0.79922736
• Molar Refractivity: 39.3197 cm^3
• Polarizability: 15.41523 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.168

Product Information

• Purity: 95%