2,6-dichloro-N-methylpyridin-4-amine

• ChemBase ID: 811371
• Molecular Formular: C6H6Cl2N2
• Molecular Mass: 177.03124
• Monoisotopic Mass: 175.99080356
• SMILES: N(C)c1cc(nc(c1)Cl)Cl
• Canonical SMILES: CNc1cc(Cl)nc(c1)Cl
• InChI: InChI=1S/C6H6Cl2N2/c1-9-4-2-5(7)10-6(8)3-4/h2-3H,1H3,(H,9,10)
• InChIKey: ITRDWZKFGCLLTO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dichloro-N-methylpyridin-4-amine
• IUPAC Traditional name: 2,6-dichloro-N-methylpyridin-4-amine
• Synonyms: 2,6-DICHLOROPYRIDINE-4-METHYLAMINE

Database IDs

• CAS Number: 88579-63-9

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8767787
• LogD (pH = 7.4): 1.876795
• Log P: 1.8767952
• Molar Refractivity: 45.8271 cm^3
• Polarizability: 16.33839 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%