2-chloro-5-(1-ethylpiperidin-2-yl)pyridine

• ChemBase ID: 274466
• Molecular Formular: C12H17ClN2
• Molecular Mass: 224.72978
• Monoisotopic Mass: 224.10802623
• SMILES: N1(C(c2cnc(cc2)Cl)CCCC1)CC
• Canonical SMILES: CCN1CCCCC1c1ccc(nc1)Cl
• InChI: InChI=1S/C12H17ClN2/c1-2-15-8-4-3-5-11(15)10-6-7-12(13)14-9-10/h6-7,9,11H,2-5,8H2,1H3
• InChIKey: NUNGUNMCCLKYSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5-(1-ethylpiperidin-2-yl)pyridine
• IUPAC Traditional name: 2-chloro-5-(1-ethylpiperidin-2-yl)pyridine
• Synonyms: 2-chloro-5-(1-ethylpiperidin-2-yl)pyridine

Database IDs

• MDL Number: MFCD18838824
• PubChem SID: 164330376
• PubChem CID: 54593180

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.46015212
• LogD (pH = 7.4): 2.202141
• Log P: 2.7881331
• Molar Refractivity: 64.8707 cm^3
• Polarizability: 25.039219 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.768

Product Information

• Purity: 95%