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

• ChemBase ID: 813698
• Molecular Formular: C7H9ClN2O
• Molecular Mass: 172.61216
• Monoisotopic Mass: 172.0403406
• SMILES: C(N)c1nc(ccc1Cl)OC
• Canonical SMILES: COc1ccc(c(n1)CN)Cl
• InChI: InChI=1S/C7H9ClN2O/c1-11-7-3-2-5(8)6(4-9)10-7/h2-3H,4,9H2,1H3
• InChIKey: BTWZLQMVAJNDTB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-chloro-6-methoxypyridin-2-yl)methanamine
• IUPAC Traditional name: (3-chloro-6-methoxypyridin-2-yl)methanamine
• Synonyms: (3-chloro-6-methoxypyridin-2-yl)methanamine

Database IDs

• CAS Number: 1060810-37-8

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.5899065
• LogD (pH = 7.4): 0.0653573
• Log P: 1.0036447
• Molar Refractivity: 43.4338 cm^3
• Polarizability: 17.218243 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%