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

• ChemBase ID: 274465
• Molecular Formular: C11H15ClN2
• Molecular Mass: 210.7032
• Monoisotopic Mass: 210.09237617
• SMILES: N1(C(c2cnc(cc2)Cl)CCCC1)C
• Canonical SMILES: CN1CCCCC1c1ccc(nc1)Cl
• InChI: InChI=1S/C11H15ClN2/c1-14-7-3-2-4-10(14)9-5-6-11(12)13-8-9/h5-6,8,10H,2-4,7H2,1H3
• InChIKey: HMCDOJHRCWLJFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18838823
• PubChem SID: 164330375
• PubChem CID: 54506933

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.33638525
• LogD (pH = 7.4): 2.013679
• Log P: 2.4313252
• Molar Refractivity: 60.1221 cm^3
• Polarizability: 23.196997 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.239

Product Information

• Purity: 95%