5-chloro-2-(chloromethyl)pyridine

• ChemBase ID: 51732
• Molecular Formular: C6H5Cl2N
• Molecular Mass: 162.0166
• Monoisotopic Mass: 160.97990453
• SMILES: n1c(ccc(c1)Cl)CCl
• Canonical SMILES: ClCc1ccc(cn1)Cl
• InChI: InChI=1S/C6H5Cl2N/c7-3-6-2-1-5(8)4-9-6/h1-2,4H,3H2
• InChIKey: JTTKXEIHKDSIRC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-2-(chloromethyl)pyridine
• IUPAC Traditional name: 5-chloro-2-(chloromethyl)pyridine
• Synonyms: 5-Chloro-2-(chloromethyl)pyridine

Database IDs

• CAS Number: 10177-24-9
• MDL Number: MFCD10697588
• PubChem SID: 162056495
• PubChem CID: 14517151

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.0280643
• LogD (pH = 7.4): 2.0283287
• Log P: 2.028332
• Molar Refractivity: 38.0506 cm^3
• Polarizability: 15.019006 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: Oil

Safety Information

• Storage Condition: Store under N2 at 4°C, Light sensitive
• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 95+%; 98%