5-(chloromethyl)pyridin-2-amine

• ChemBase ID: 802135
• Molecular Formular: C6H7ClN2
• Molecular Mass: 142.58618
• Monoisotopic Mass: 142.02977591
• SMILES: n1c(ccc(c1)CCl)N
• Canonical SMILES: ClCc1ccc(nc1)N
• InChI: InChI=1S/C6H7ClN2/c7-3-5-1-2-6(8)9-4-5/h1-2,4H,3H2,(H2,8,9)
• InChIKey: OWWSKDLSOLPVCZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(chloromethyl)pyridin-2-amine
• IUPAC Traditional name: 5-(chloromethyl)pyridin-2-amine
• Synonyms: 5-(CHLOROMETHYL)PYRIDIN-2-AMINE

Database IDs

• CAS Number: 230617-81-9

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.18775287
• LogD (pH = 7.4): 1.0584773
• Log P: 1.108347
• Molar Refractivity: 38.7819 cm^3
• Polarizability: 14.239322 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%