3-(chloromethyl)pyridin-2-amine

• ChemBase ID: 812321
• Molecular Formular: C6H7ClN2
• Molecular Mass: 142.58618
• Monoisotopic Mass: 142.02977591
• SMILES: n1c(c(ccc1)CCl)N
• Canonical SMILES: ClCc1cccnc1N
• InChI: InChI=1S/C6H7ClN2/c7-4-5-2-1-3-9-6(5)8/h1-3H,4H2,(H2,8,9)
• InChIKey: LFZLYRMLFKINJA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(chloromethyl)pyridin-2-amine
• IUPAC Traditional name: 3-(chloromethyl)pyridin-2-amine
• Synonyms: 2-AMINO-3-CHLOROMETHYL PYRIDINE

Database IDs

• CAS Number: 858431-29-5

CALCULATED PROPERTIES

• LogD (pH = 7.4): 1.0516299
• Log P: 1.108347
• Molar Refractivity: 38.7819 cm^3
• Polarizability: 14.239555 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.1485772

PROPERTIES

Product Information

• Purity: 98%