2-(2-iodophenyl)pyrrolidine

• ChemBase ID: 274469
• Molecular Formular: C10H12IN
• Molecular Mass: 273.11345
• Monoisotopic Mass: 273.00144739
• SMILES: c1(C2NCCC2)c(I)cccc1
• Canonical SMILES: Ic1ccccc1C1CCCN1
• InChI: InChI=1S/C10H12IN/c11-9-5-2-1-4-8(9)10-6-3-7-12-10/h1-2,4-5,10,12H,3,6-7H2
• InChIKey: SJORLPPHBJDNJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-iodophenyl)pyrrolidine
• IUPAC Traditional name: 2-(2-iodophenyl)pyrrolidine
• Synonyms: 2-(2-iodophenyl)pyrrolidine

Database IDs

• MDL Number: MFCD02663434
• PubChem SID: 164330379
• PubChem CID: 3399647

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.23131926
• LogD (pH = 7.4): 0.93740696
• Log P: 2.9261036
• Molar Refractivity: 59.8797 cm^3
• Polarizability: 23.51766 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.757

Product Information

• Purity: 95%