2-(chloromethyl)pyridine

• ChemBase ID: 87538
• Molecular Formular: C6H6ClN
• Molecular Mass: 127.57154
• Monoisotopic Mass: 127.01887688
• SMILES: n1c(cccc1)CCl
• Canonical SMILES: ClCc1ccccn1
• InChI: InChI=1S/C6H6ClN/c7-5-6-3-1-2-4-8-6/h1-4H,5H2
• InChIKey: NJWIMFZLESWFIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(chloromethyl)pyridine
• IUPAC Traditional name: 2-(chloromethyl)pyridine
• Synonyms: 2-(Chloromethyl)pyridine; 2-Picolylchloride

Database IDs

• CAS Number: 4377-33-7
• MDL Number: MFCD05861645
• PubChem SID: 162074578
• PubChem CID: 23393

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.4065783
• LogD (pH = 7.4): 1.4240595
• Log P: 1.4242873
• Molar Refractivity: 33.2458 cm^3
• Polarizability: 13.086979 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Store under Argon

Product Information

• Purity: 98%