3-(1-chloroethyl)pyridine

• ChemBase ID: 260382
• Molecular Formular: C7H8ClN
• Molecular Mass: 141.59812
• Monoisotopic Mass: 141.03452694
• SMILES: c1(C(Cl)C)cnccc1
• Canonical SMILES: CC(c1cccnc1)Cl
• InChI: InChI=1S/C7H8ClN/c1-6(8)7-3-2-4-9-5-7/h2-6H,1H3
• InChIKey: NYEDROBJCDOGEE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(1-chloroethyl)pyridine
• IUPAC Traditional name: 3-(1-chloroethyl)pyridine
• Synonyms: 3-(1-chloroethyl)pyridine

Database IDs

• MDL Number: MFCD10688982
• PubChem SID: 164316292
• PubChem CID: 14932950

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.69028
• LogD (pH = 7.4): 1.7584295
• Log P: 1.7593905
• Molar Refractivity: 38.1868 cm^3
• Polarizability: 14.924422 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.736

Product Information

• Purity: 95%