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

• ChemBase ID: 241485
• Molecular Formular: C8H10ClFN2
• Molecular Mass: 188.6298032
• Monoisotopic Mass: 188.05165423
• SMILES: Cl.NC1(CC1)c1ccc(F)cn1
• Canonical SMILES: Fc1ccc(nc1)C1(N)CC1.Cl
• InChI: InChI=1S/C8H9FN2.ClH/c9-6-1-2-7(11-5-6)8(10)3-4-8;/h1-2,5H,3-4,10H2;1H
• InChIKey: YCSLZHVXBRQGED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22421885
• PubChem SID: 164297395
• PubChem CID: 71756797

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

• Melting Point: 204 - 206°C
• Hydrophobicity(logP): 0.168

Product Information

• Purity: 95%