2-(2-chloroethyl)pyridine

• ChemBase ID: 44721
• Molecular Formular: C7H8ClN
• Molecular Mass: 141.59812
• Monoisotopic Mass: 141.03452694
• SMILES: n1c(CCCl)cccc1
• Canonical SMILES: ClCCc1ccccn1
• InChI: InChI=1S/C7H8ClN/c8-5-4-7-3-1-2-6-9-7/h1-3,6H,4-5H2
• InChIKey: FVPGJXXACUQQGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-chloroethyl)pyridine
• IUPAC Traditional name: chlorethazine
• Synonyms: 2-(2-Chloroethyl)pyridine

Database IDs

• CAS Number: 16927-00-7
• MDL Number: MFCD06656799
• PubChem SID: 162049484
• PubChem CID: 199468

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.415974
• LogD (pH = 7.4): 1.6570524
• Log P: 1.6613001
• Molar Refractivity: 37.9452 cm^3
• Polarizability: 14.850154 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: Oil

Safety Information

• Storage Condition: Store under N2 at -18°C
• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%