1-(3-fluoropyridin-2-yl)pyrrolidin-3-amine

• ChemBase ID: 237192
• Molecular Formular: C9H12FN3
• Molecular Mass: 181.2100832
• Monoisotopic Mass: 181.10152562
• SMILES: N1(c2ncccc2F)CC(CC1)N
• Canonical SMILES: NC1CCN(C1)c1ncccc1F
• InChI: InChI=1S/C9H12FN3/c10-8-2-1-4-12-9(8)13-5-3-7(11)6-13/h1-2,4,7H,3,5-6,11H2
• InChIKey: JYGCHOOXGOBFDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-fluoropyridin-2-yl)pyrrolidin-3-amine
• IUPAC Traditional name: 1-(3-fluoropyridin-2-yl)pyrrolidin-3-amine
• Synonyms: 1-(3-fluoropyridin-2-yl)pyrrolidin-3-amine

Database IDs

• MDL Number: MFCD16859630
• PubChem SID: 164293102
• PubChem CID: 62732675

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.2601383
• LogD (pH = 7.4): -1.5814781
• Log P: 0.7519948
• Molar Refractivity: 49.376 cm^3
• Polarizability: 18.40904 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.445

Product Information

• Purity: 95%