2-(chloromethyl)pyridin-3-amine

• ChemBase ID: 810659
• Molecular Formular: C6H7ClN2
• Molecular Mass: 142.58618
• Monoisotopic Mass: 142.02977591
• SMILES: n1c(c(ccc1)N)CCl
• Canonical SMILES: ClCc1ncccc1N
• InChI: InChI=1S/C6H7ClN2/c7-4-6-5(8)2-1-3-9-6/h1-3H,4,8H2
• InChIKey: GMWVRQNIVOOKLB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 887584-38-5

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.5300346
• LogD (pH = 7.4): 0.5944696
• Log P: 0.5953614
• Molar Refractivity: 37.9462 cm^3
• Polarizability: 14.241156 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%