(4-chloro-6-methoxypyridin-2-yl)methanamine

• ChemBase ID: 813699
• Molecular Formular: C7H9ClN2O
• Molecular Mass: 172.61216
• Monoisotopic Mass: 172.0403406
• SMILES: C(N)c1nc(cc(c1)Cl)OC
• Canonical SMILES: NCc1cc(Cl)cc(n1)OC
• InChI: InChI=1S/C7H9ClN2O/c1-11-7-3-5(8)2-6(4-9)10-7/h2-3H,4,9H2,1H3
• InChIKey: FXKFVJSXQYZUIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-chloro-6-methoxypyridin-2-yl)methanamine
• IUPAC Traditional name: (4-chloro-6-methoxypyridin-2-yl)methanamine
• Synonyms: (4-chloro-6-methoxypyridin-2-yl)methanamine

Database IDs

• CAS Number: 1060810-39-0

CALCULATED PROPERTIES

• LogD (pH = 5.5): -1.6728251
• LogD (pH = 7.4): -0.0583599
• Log P: 1.0036447
• Molar Refractivity: 43.4338 cm^3
• Polarizability: 17.212029 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 1

PROPERTIES

Product Information

• Purity: 98%